N-[(5-chloro-2-methoxyphenyl)methyl]pyridin-3-amine

C13H13ClN2O — CID 54905217

IUPACN-[(5-chloro-2-methoxyphenyl)methyl]pyridin-3-amine
SMILESCOc1ccc(Cl)cc1CNc1cccnc1
InChIInChI=1S/C13H13ClN2O/c1-17-13-5-4-11(14)7-10(13)8-16-12-3-2-6-15-9-12/h2-7,9,16H,8H2,1H3
InChIKeyPKSPYVRLKQTPQF-UHFFFAOYSA-N
MW248.71 g/mol
LogP3.36
Rot. Bonds4

About N-[(5-chloro-2-methoxyphenyl)methyl]pyridin-3-amine

N-[(5-chloro-2-methoxyphenyl)methyl]pyridin-3-amine (PubChem CID 54905217) has the molecular formula C13H13ClN2O and a molecular weight of 248.71 g/mol. Its IUPAC name is N-[(5-chloro-2-methoxyphenyl)methyl]pyridin-3-amine.

Molecular Properties

Compound NameN-[(5-chloro-2-methoxyphenyl)methyl]pyridin-3-amine
PubChem CID54905217
Molecular FormulaC13H13ClN2O
Molecular Weight248.71 g/mol
Exact Mass248.07
IUPAC NameN-[(5-chloro-2-methoxyphenyl)methyl]pyridin-3-amine
SMILESCOc1ccc(Cl)cc1CNc1cccnc1
InChIInChI=1S/C13H13ClN2O/c1-17-13-5-4-11(14)7-10(13)8-16-12-3-2-6-15-9-12/h2-7,9,16H,8H2,1H3
InChIKeyPKSPYVRLKQTPQF-UHFFFAOYSA-N
XLogP3.36
TPSA34.15 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 ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(5-chloro-2-methoxyphenyl)methyl]pyridin-3-amine 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

3-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]aniline
CID 43410779
N-[(2,4-dichlorophenyl)methyl]pyridin-3-amine;dihydrochloride
CID 71432381
N-[(5-chloro-2-methoxyphenyl)methyl]-3,4-difluoroaniline
CID 43410818
N-[4-[[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]methylamino]-2-methoxyphenyl]acetamide
CID 78895433
3-chloro-N-[(2-methoxy-5-methylphenyl)methyl]aniline
CID 43408545
3-bromo-N-[(5-chloro-2-methoxyphenyl)methyl]-5-methylaniline
CID 107582300
N-[(5-bromo-2-methoxyphenyl)methyl]-3-chloroaniline
CID 43087958
3-[[(5-chloro-2-methoxyphenyl)methylamino]methyl]-N,N-dimethylpyridin-4-amine
CID 75522346
N-[(5-chloro-2-methoxyphenyl)methyl]-1-pyridin-4-ylmethanamine;hydrochloride
CID 17331835
N-[(5-chloro-2-methoxyphenyl)methyl]-2-(methoxymethyl)aniline
CID 61038504
4-[(5-chloro-2-methoxyphenyl)methylamino]-N-methylbenzamide
CID 60696773
N-[(5-chloro-2-methoxyphenyl)methyl]-2-methyl-3H-benzimidazol-5-amine
CID 61038267

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2-methoxyphenyl)methyl]pyridin-3-amine?
The IUPAC name of N-[(5-chloro-2-methoxyphenyl)methyl]pyridin-3-amine (CID 54905217) is N-[(5-chloro-2-methoxyphenyl)methyl]pyridin-3-amine.
What is the SMILES notation for N-[(5-chloro-2-methoxyphenyl)methyl]pyridin-3-amine?
The canonical SMILES for N-[(5-chloro-2-methoxyphenyl)methyl]pyridin-3-amine is COc1ccc(Cl)cc1CNc1cccnc1.
What is the InChIKey of N-[(5-chloro-2-methoxyphenyl)methyl]pyridin-3-amine?
The InChIKey is PKSPYVRLKQTPQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O/c1-17-13-5-4-11(14)7-10(13)8-16-12-3-2-6-15-9-12/h2-7,9,16H,8H2,1H3.
What are the key properties of N-[(5-chloro-2-methoxyphenyl)methyl]pyridin-3-amine?
N-[(5-chloro-2-methoxyphenyl)methyl]pyridin-3-amine has a molecular weight of 248.71 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-2-methoxyphenyl)methyl]pyridin-3-amine is sourced from PubChem (CID 54905217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).