Benzenemethanamine, N-methyl-3-(2-pyrimidinyloxy)-
PubChem CID
17213576
Structure
Molecular Formula
Synonyms
- 828242-93-9
- Benzenemethanamine, N-methyl-3-(2-pyrimidinyloxy)-
- N-Methyl-1-(3-(pyrimidin-2-yloxy)phenyl)methanamine
- N-Methyl-1-(3-pyrimidin-2-yloxyphenyl)methanamine
- N-Methyl-N-[3-(pyrimidin-2-yloxy)benzyl]amine
Molecular Weight
215.25 g/mol
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Dates
- Create:2007-11-13
- Modify:2025-01-18
Chemical Structure Depiction
N-methyl-1-(3-pyrimidin-2-yloxyphenyl)methanamine
Computed by Lexichem TK 2.7.0 (PubChem release 2021.10.14)
InChI=1S/C12H13N3O/c1-13-9-10-4-2-5-11(8-10)16-12-14-6-3-7-15-12/h2-8,13H,9H2,1H3
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
XDEUAGLSWXWHIF-UHFFFAOYSA-N
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
CNCC1=CC(=CC=C1)OC2=NC=CC=N2
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C12H13N3O
Computed by PubChem 2.2 (PubChem release 2021.10.14)
828242-93-9
- 828242-93-9
- Benzenemethanamine, N-methyl-3-(2-pyrimidinyloxy)-
- N-Methyl-1-(3-(pyrimidin-2-yloxy)phenyl)methanamine
- N-Methyl-1-(3-pyrimidin-2-yloxyphenyl)methanamine
- N-Methyl-N-[3-(pyrimidin-2-yloxy)benzyl]amine
- Methyl({[3-(pyrimidin-2-yloxy)phenyl]methyl})amine
- N-methyl-1-[3-(pyrimidin-2-yloxy)phenyl]methanamine
- SCHEMBL14368005
- DTXSID30589398
- XDEUAGLSWXWHIF-UHFFFAOYSA-N
- BBL031376
- STK524264
- AKOS001478378
- SB59603
- TS-00462
- VS-10458
- CS-0315574
- N-methyl-N-[3-(2-pyrimidinyloxy)benzyl]amine
- AN-465/43421771
- A1-05280
- N-Methyl-1-{3-[(pyrimidin-2-yl)oxy]phenyl}methanamine
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
215.25 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
XLogP3-AA
Property Value
1.4
Reference
Computed by XLogP3 3.0 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Donor Count
Property Value
1
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Acceptor Count
Property Value
4
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Rotatable Bond Count
Property Value
4
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Exact Mass
Property Value
215.105862047 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Monoisotopic Mass
Property Value
215.105862047 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Topological Polar Surface Area
Property Value
47 Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
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
195
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
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 2021.10.14)
NIST Number
409894
Library
Main library
Total Peaks
115
m/z Top Peak
44
m/z 2nd Highest
186
m/z 3rd Highest
42
Thumbnail
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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=XDEUAGLSWXWHIF-UHFFFAOYSA-N
- EPA DSSToxN-Methyl-1-{3-[(pyrimidin-2-yl)oxy]phenyl}methanaminehttps://comptox.epa.gov/dashboard/DTXSID30589398
- NIST Mass Spectrometry Data CenterLICENSEData covered by the Standard Reference Data Act of 1968 as amended.https://www.nist.gov/srd/public-lawMethyl({[3-(pyrimidin-2-yloxy)phenyl]methyl})aminehttp://www.nist.gov/srd/nist1a.cfm
- WikidataN-Methyl-1-{3-[(pyrimidin-2-yl)oxy]phenyl}methanaminehttps://www.wikidata.org/wiki/Q82482746
- PubChem
- PATENTSCOPE (WIPO)SID 390390195https://pubchem.ncbi.nlm.nih.gov/substance/390390195
CONTENTS