[4-chloro-2-(pyridin-2-ylmethoxy)phenyl]methanamine

C13H13ClN2O — CID 113277219

IUPAC[4-chloro-2-(pyridin-2-ylmethoxy)phenyl]methanamine
SMILESNCc1ccc(Cl)cc1OCc1ccccn1
InChIInChI=1S/C13H13ClN2O/c14-11-5-4-10(8-15)13(7-11)17-9-12-3-1-2-6-16-12/h1-7H,8-9,15H2
InChIKeyGEPOXTURSVZREF-UHFFFAOYSA-N
MW248.71 g/mol
LogP2.77
Rot. Bonds4

About [4-chloro-2-(pyridin-2-ylmethoxy)phenyl]methanamine

[4-chloro-2-(pyridin-2-ylmethoxy)phenyl]methanamine (PubChem CID 113277219) has the molecular formula C13H13ClN2O and a molecular weight of 248.71 g/mol. Its IUPAC name is [4-chloro-2-(pyridin-2-ylmethoxy)phenyl]methanamine.

Molecular Properties

Compound Name[4-chloro-2-(pyridin-2-ylmethoxy)phenyl]methanamine
PubChem CID113277219
Molecular FormulaC13H13ClN2O
Molecular Weight248.71 g/mol
Exact Mass248.07
IUPAC Name[4-chloro-2-(pyridin-2-ylmethoxy)phenyl]methanamine
SMILESNCc1ccc(Cl)cc1OCc1ccccn1
InChIInChI=1S/C13H13ClN2O/c14-11-5-4-10(8-15)13(7-11)17-9-12-3-1-2-6-16-12/h1-7H,8-9,15H2
InChIKeyGEPOXTURSVZREF-UHFFFAOYSA-N
XLogP2.77
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.71
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4-chloro-2-(pyridin-2-ylmethoxy)phenyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[5-chloro-2-(pyridin-2-ylmethyl)phenyl]methanamine
CID 66161310
1-[5-chloro-2-(pyridin-2-ylmethoxy)phenyl]ethanamine
CID 55031302
[4-chloro-2-[(3,4-dimethoxy-2-pyridinyl)methoxy]phenyl]methanamine
CID 103171956
[4-chloro-2-[(3-chloro-2-pyridinyl)oxy]phenyl]methanamine
CID 114323941
[4-chloro-2-[(4-ethylphenyl)methoxy]phenyl]methanamine
CID 114322356
[2-[(3-bromophenyl)methoxy]-4-chlorophenyl]methanamine
CID 82827870
pyridin-2-ylmethyl 4-chloro-2-methoxybenzoate
CID 60598324
3-(aminomethyl)-6-chloro-7-(pyridin-2-ylmethoxy)-1H-quinolin-2-one
CID 129034649
4-chloro-2-(pyridin-2-ylmethyl)aniline
CID 14005180
(E)-3-[5-chloro-2-(pyridin-2-ylmethoxy)phenyl]prop-2-enoic acid
CID 16769761
2-(aminomethyl)-4-chloro-N-methyl-N-(2-pyridin-2-ylethyl)aniline
CID 62492965
3-fluoro-4-(pyridin-2-ylmethoxy)aniline;dihydrochloride
CID 75530160

Frequently Asked Questions

What is the IUPAC name of [4-chloro-2-(pyridin-2-ylmethoxy)phenyl]methanamine?
The IUPAC name of [4-chloro-2-(pyridin-2-ylmethoxy)phenyl]methanamine (CID 113277219) is [4-chloro-2-(pyridin-2-ylmethoxy)phenyl]methanamine.
What is the SMILES notation for [4-chloro-2-(pyridin-2-ylmethoxy)phenyl]methanamine?
The canonical SMILES for [4-chloro-2-(pyridin-2-ylmethoxy)phenyl]methanamine is NCc1ccc(Cl)cc1OCc1ccccn1.
What is the InChIKey of [4-chloro-2-(pyridin-2-ylmethoxy)phenyl]methanamine?
The InChIKey is GEPOXTURSVZREF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O/c14-11-5-4-10(8-15)13(7-11)17-9-12-3-1-2-6-16-12/h1-7H,8-9,15H2.
What are the key properties of [4-chloro-2-(pyridin-2-ylmethoxy)phenyl]methanamine?
[4-chloro-2-(pyridin-2-ylmethoxy)phenyl]methanamine has a molecular weight of 248.71 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-2-(pyridin-2-ylmethoxy)phenyl]methanamine is sourced from PubChem (CID 113277219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).