5-(aminomethyl)-N-(4-chloro-2-methylphenyl)pyridin-2-amine

C13H14ClN3 — CID 82296151

IUPAC5-(aminomethyl)-N-(4-chloro-2-methylphenyl)pyridin-2-amine
SMILESCc1cc(Cl)ccc1Nc1ccc(CN)cn1
InChIInChI=1S/C13H14ClN3/c1-9-6-11(14)3-4-12(9)17-13-5-2-10(7-15)8-16-13/h2-6,8H,7,15H2,1H3,(H,16,17)
InChIKeyOHIJBZNQQOXFDN-UHFFFAOYSA-N
MW247.73 g/mol
LogP3.25
Rot. Bonds3

About 5-(aminomethyl)-N-(4-chloro-2-methylphenyl)pyridin-2-amine

5-(aminomethyl)-N-(4-chloro-2-methylphenyl)pyridin-2-amine (PubChem CID 82296151) has the molecular formula C13H14ClN3 and a molecular weight of 247.73 g/mol. Its IUPAC name is 5-(aminomethyl)-N-(4-chloro-2-methylphenyl)pyridin-2-amine.

Molecular Properties

Compound Name5-(aminomethyl)-N-(4-chloro-2-methylphenyl)pyridin-2-amine
PubChem CID82296151
Molecular FormulaC13H14ClN3
Molecular Weight247.73 g/mol
Exact Mass247.09
IUPAC Name5-(aminomethyl)-N-(4-chloro-2-methylphenyl)pyridin-2-amine
SMILESCc1cc(Cl)ccc1Nc1ccc(CN)cn1
InChIInChI=1S/C13H14ClN3/c1-9-6-11(14)3-4-12(9)17-13-5-2-10(7-15)8-16-13/h2-6,8H,7,15H2,1H3,(H,16,17)
InChIKeyOHIJBZNQQOXFDN-UHFFFAOYSA-N
XLogP3.25
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.73
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(aminomethyl)-N-(2,5-dimethylphenyl)pyridin-2-amine
CID 82288074
4-(aminomethyl)-N-(4-chloro-2-methylphenyl)-2-fluoroaniline
CID 82303954
5-(aminomethyl)-N-(2,6-dimethylphenyl)pyridin-2-amine
CID 82288077
N-(4-chloro-2-methylphenyl)pyrazin-2-amine
CID 118286926
6-(4-chloro-2-methylanilino)-N,N-di(propan-2-yl)pyridine-3-sulfonamide
CID 5267817
4-N-(4-chloro-2-methylphenyl)-6-N-methylpyrimidine-2,4,6-triamine
CID 114256694
2-N-(4-chloro-2-methylphenyl)pyrimidine-2,5-diamine
CID 82290977
N-[6-(4-chloro-2-methylanilino)-3-pyridinyl]pentanamide
CID 113018819
2-N-(4-chloro-2-methylphenyl)pyrazine-2,6-diamine
CID 80648132
N-(4-chloro-2-methylphenyl)-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 5268142
6-(4-chloro-2-methylanilino)-N-ethyl-N-phenylpyridine-3-sulfonamide
CID 5268362
4-N-(4-chloro-2-methylphenyl)-2-methyl-6-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine
CID 112873603

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-(4-chloro-2-methylphenyl)pyridin-2-amine?
The IUPAC name of 5-(aminomethyl)-N-(4-chloro-2-methylphenyl)pyridin-2-amine (CID 82296151) is 5-(aminomethyl)-N-(4-chloro-2-methylphenyl)pyridin-2-amine.
What is the SMILES notation for 5-(aminomethyl)-N-(4-chloro-2-methylphenyl)pyridin-2-amine?
The canonical SMILES for 5-(aminomethyl)-N-(4-chloro-2-methylphenyl)pyridin-2-amine is Cc1cc(Cl)ccc1Nc1ccc(CN)cn1.
What is the InChIKey of 5-(aminomethyl)-N-(4-chloro-2-methylphenyl)pyridin-2-amine?
The InChIKey is OHIJBZNQQOXFDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3/c1-9-6-11(14)3-4-12(9)17-13-5-2-10(7-15)8-16-13/h2-6,8H,7,15H2,1H3,(H,16,17).
What are the key properties of 5-(aminomethyl)-N-(4-chloro-2-methylphenyl)pyridin-2-amine?
5-(aminomethyl)-N-(4-chloro-2-methylphenyl)pyridin-2-amine has a molecular weight of 247.73 g/mol, XLogP of 3.25, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-(4-chloro-2-methylphenyl)pyridin-2-amine is sourced from PubChem (CID 82296151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).