1,2,3,4-Tetrahydro-2-methyl-1-phenylisoquinoline
PubChem CID
251645
Structure
Molecular Formula
Synonyms
- 7149-64-6
- 2-methyl-1-phenyl-3,4-dihydro-1H-isoquinoline
- CHEMBL278781
- NSC 72278
- NSC72278
Molecular Weight
223.31 g/mol
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Dates
- Create:2005-03-26
- Modify:2025-01-18
Chemical Structure Depiction
2-methyl-1-phenyl-3,4-dihydro-1H-isoquinoline
Computed by LexiChem 2.6.6 (PubChem release 2019.06.18)
InChI=1S/C16H17N/c1-17-12-11-13-7-5-6-10-15(13)16(17)14-8-3-2-4-9-14/h2-10,16H,11-12H2,1H3
Computed by InChI 1.0.5 (PubChem release 2019.06.18)
MKANNBGMJZQSFY-UHFFFAOYSA-N
Computed by InChI 1.0.5 (PubChem release 2019.06.18)
CN1CCC2=CC=CC=C2C1C3=CC=CC=C3
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C16H17N
Computed by PubChem 2.1 (PubChem release 2019.06.18)
- 7149-64-6
- 2-methyl-1-phenyl-3,4-dihydro-1H-isoquinoline
- CHEMBL278781
- NSC 72278
- NSC72278
- NCIOpen2_003822
- Oprea1_032773
- Oprea1_574755
- SCHEMBL8415128
- DTXSID20290986
- BDBM50017054
- NSC-72278
- 1,2,3,4-Tetrahydro-2-methyl-1-phenylisoquinoline
- 1-phenyl-N-methyl-1,2,3,4-tetrahydro-isoquinoline
- 2-Methyl-1-phenyl-1,2,3,4-tetrahydro-isoquinoline
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
223.31 g/mol
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
XLogP3-AA
Property Value
3.5
Reference
Computed by XLogP3 3.0 (PubChem release 2019.06.18)
Property Name
Hydrogen Bond Donor Count
Property Value
0
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Hydrogen Bond Acceptor Count
Property Value
1
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Rotatable Bond Count
Property Value
1
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Exact Mass
Property Value
223.136099547 Da
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
Monoisotopic Mass
Property Value
223.136099547 Da
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
Topological Polar Surface Area
Property Value
3.2 Ų
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Heavy Atom Count
Property Value
17
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
244
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Isotope Atom Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Atom Stereocenter Count
Property Value
1
Reference
Computed by PubChem
Property Name
Defined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Covalently-Bonded Unit Count
Property Value
1
Reference
Computed by PubChem
Property Name
Compound Is Canonicalized
Property Value
Yes
Reference
Computed by PubChem (release 2019.01.04)
Follow these links to do a live 2D search or do a live 3D search for this compound, sorted by annotation score. This section is deprecated (see here for details), but these live search links provide equivalent functionality to the table that was previously shown here.
Same Connectivity Count
Same Stereo Count
Same Isotope Count
Same Parent, Connectivity Count
Same Parent, Stereo Count
Same Parent, Isotope Count
Same Parent, Exact Count
Mixtures, Components, and Neutralized Forms Count
Similar Compounds (2D)
Similar Conformers (3D)
Patents are available for this chemical structure:
https://patentscope.wipo.int/search/en/result.jsf?inchikey=MKANNBGMJZQSFY-UHFFFAOYSA-N
- CAS Common ChemistryLICENSEThe data from CAS Common Chemistry is provided under a CC-BY-NC 4.0 license, unless otherwise stated.https://creativecommons.org/licenses/by-nc/4.0/1,2,3,4-Tetrahydro-2-methyl-1-phenylisoquinolinehttps://commonchemistry.cas.org/detail?cas_rn=7149-64-6
- ChemIDplusChemIDplus Chemical Information Classificationhttps://pubchem.ncbi.nlm.nih.gov/source/ChemIDplus
- DTP/NCILICENSEUnless otherwise indicated, all text within NCI products is free of copyright and may be reused without our permission. Credit the National Cancer Institute as the source.https://www.cancer.gov/policies/copyright-reuse
- EPA DSSTox2-methyl-1-phenyl-3,4-dihydro-1H-isoquinolinehttps://comptox.epa.gov/dashboard/DTXSID20290986
- ChEMBLLICENSEAccess to the web interface of ChEMBL is made under the EBI's Terms of Use (http://www.ebi.ac.uk/Information/termsofuse.html). The ChEMBL data is made available on a Creative Commons Attribution-Share Alike 3.0 Unported License (http://creativecommons.org/licenses/by-sa/3.0/).http://www.ebi.ac.uk/Information/termsofuse.htmlChEMBL Protein Target Treehttps://www.ebi.ac.uk/chembl/g/#browse/targets
- Japan Chemical Substance Dictionary (Nikkaji)
- SpectraBase2-Methyl-1-phenyl-1,2,3,4-tetrahydroisoquinolinehttps://spectrabase.com/spectrum/BT9hb1Mi1vs
- Springer Nature
- Thieme ChemistryLICENSEThe Thieme Chemistry contribution within PubChem is provided under a CC-BY-NC-ND 4.0 license, unless otherwise stated.https://creativecommons.org/licenses/by-nc-nd/4.0/
- WikidataCHEMBL278781https://www.wikidata.org/wiki/Q82028810
- PubChem
- MolGenieMolGenie Organic Chemistry Ontologyhttps://github.com/MolGenie/ontology/
- PATENTSCOPE (WIPO)SID 391047611https://pubchem.ncbi.nlm.nih.gov/substance/391047611
CONTENTS