2-Chloro-6-phenoxybenzylamine
PubChem CID
2777206
Structure
Molecular Formula
Synonyms
- 2-Chloro-6-phenoxybenzylamine
- 175136-89-7
- (2-chloro-6-phenoxyphenyl)methanamine
- Benzenemethanamine, 2-chloro-6-phenoxy-
- CHEMBL203105
Molecular Weight
233.69 g/mol
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Dates
- Create:2005-07-19
- Modify:2025-01-11
Chemical Structure Depiction
(2-chloro-6-phenoxyphenyl)methanamine
Computed by Lexichem TK 2.7.0 (PubChem release 2024.11.20)
InChI=1S/C13H12ClNO/c14-12-7-4-8-13(11(12)9-15)16-10-5-2-1-3-6-10/h1-8H,9,15H2
Computed by InChI 1.07.0 (PubChem release 2024.11.20)
SNTOZVXKDWQFEW-UHFFFAOYSA-N
Computed by InChI 1.07.0 (PubChem release 2024.11.20)
C1=CC=C(C=C1)OC2=C(C(=CC=C2)Cl)CN
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C13H12ClNO
Computed by PubChem 2.2 (PubChem release 2024.11.20)
175136-89-7
- 2-Chloro-6-phenoxybenzylamine
- 175136-89-7
- (2-chloro-6-phenoxyphenyl)methanamine
- Benzenemethanamine, 2-chloro-6-phenoxy-
- CHEMBL203105
- 1-(2-CHLORO-6-PHENOXYPHENYL)METHANAMINE
- SCHEMBL112755
- 2-chloro-6-phenoxy-benzylamine
- DTXSID20380412
- SNTOZVXKDWQFEW-UHFFFAOYSA-N
- BDBM50178429
- AKOS009159323
- MS-22034
- DB-030613
- CS-0336829
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
233.69 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
XLogP3-AA
Property Value
2.9
Reference
Computed by XLogP3 3.0 (PubChem release 2024.11.20)
Property Name
Hydrogen Bond Donor Count
Property Value
1
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Hydrogen Bond Acceptor Count
Property Value
2
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Rotatable Bond Count
Property Value
3
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Exact Mass
Property Value
233.0607417 Da
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
Monoisotopic Mass
Property Value
233.0607417 Da
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
Topological Polar Surface Area
Property Value
35.3 Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Heavy Atom Count
Property Value
16
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
206
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
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
0
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 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=SNTOZVXKDWQFEW-UHFFFAOYSA-N
- 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
- EPA DSSTox2-Chloro-6-phenoxybenzylaminehttps://comptox.epa.gov/dashboard/DTXSID20380412CompTox Chemicals Dashboard Chemical Listshttps://comptox.epa.gov/dashboard/chemical-lists/
- Therapeutic Target Database (TTD)(2-chloro-6-phenoxyphenyl)methanaminehttps://idrblab.net/ttd/data/drug/details/D0X2JG
- Wikidata2-Chloro-6-phenoxybenzylaminehttps://www.wikidata.org/wiki/Q82170635
- PubChem
- MolGenieMolGenie Organic Chemistry Ontologyhttps://github.com/MolGenie/ontology/
- PATENTSCOPE (WIPO)SID 389203530https://pubchem.ncbi.nlm.nih.gov/substance/389203530
CONTENTS