3-(aminomethyl)-N-(3,5-dimethylphenyl)pyridin-2-amine

C14H17N3 — CID 82081174

IUPAC3-(aminomethyl)-N-(3,5-dimethylphenyl)pyridin-2-amine
SMILESCc1cc(C)cc(Nc2ncccc2CN)c1
InChIInChI=1S/C14H17N3/c1-10-6-11(2)8-13(7-10)17-14-12(9-15)4-3-5-16-14/h3-8H,9,15H2,1-2H3,(H,16,17)
InChIKeyOTNGQTQSEMARJP-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.90
Rot. Bonds3

About 3-(aminomethyl)-N-(3,5-dimethylphenyl)pyridin-2-amine

3-(aminomethyl)-N-(3,5-dimethylphenyl)pyridin-2-amine (PubChem CID 82081174) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is 3-(aminomethyl)-N-(3,5-dimethylphenyl)pyridin-2-amine.

Molecular Properties

Compound Name3-(aminomethyl)-N-(3,5-dimethylphenyl)pyridin-2-amine
PubChem CID82081174
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC Name3-(aminomethyl)-N-(3,5-dimethylphenyl)pyridin-2-amine
SMILESCc1cc(C)cc(Nc2ncccc2CN)c1
InChIInChI=1S/C14H17N3/c1-10-6-11(2)8-13(7-10)17-14-12(9-15)4-3-5-16-14/h3-8H,9,15H2,1-2H3,(H,16,17)
InChIKeyOTNGQTQSEMARJP-UHFFFAOYSA-N
XLogP2.90
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(3,5-dimethylanilino)-3-pyridinyl]methanol
CID 82081347
1-[3-[[3-(aminomethyl)-2-pyridinyl]amino]phenyl]ethanone
CID 82084693
3-(aminomethyl)-N-(2-methoxy-5-methylphenyl)pyridin-2-amine
CID 82085145
6-N-(3,5-dimethylphenyl)-4-N-(3-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine
CID 22540962
2-(3,5-dimethylanilino)-N-methylpyridine-3-sulfonamide
CID 53151398
N-[3-(aminomethyl)-2-pyridinyl]ethanesulfonamide
CID 66677968
[2-(3,4-dichloroanilino)-3-pyridinyl]methanol
CID 14739451
2-amino-N-[3-(aminomethyl)-2-pyridinyl]acetamide
CID 83618855
4-N-(3,5-dimethylphenyl)-6-N-pyridin-3-ylpyrimidine-4,5,6-triamine
CID 22540968
[2-(3-bromoanilino)-3-pyridinyl]methanol
CID 82093811
N-[2-(aminomethyl)phenyl]pyrimidin-2-amine
CID 63760524
5-methyl-3-N-(quinolin-8-ylmethyl)benzene-1,3-diamine
CID 115980853

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-(3,5-dimethylphenyl)pyridin-2-amine?
The IUPAC name of 3-(aminomethyl)-N-(3,5-dimethylphenyl)pyridin-2-amine (CID 82081174) is 3-(aminomethyl)-N-(3,5-dimethylphenyl)pyridin-2-amine.
What is the SMILES notation for 3-(aminomethyl)-N-(3,5-dimethylphenyl)pyridin-2-amine?
The canonical SMILES for 3-(aminomethyl)-N-(3,5-dimethylphenyl)pyridin-2-amine is Cc1cc(C)cc(Nc2ncccc2CN)c1.
What is the InChIKey of 3-(aminomethyl)-N-(3,5-dimethylphenyl)pyridin-2-amine?
The InChIKey is OTNGQTQSEMARJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c1-10-6-11(2)8-13(7-10)17-14-12(9-15)4-3-5-16-14/h3-8H,9,15H2,1-2H3,(H,16,17).
What are the key properties of 3-(aminomethyl)-N-(3,5-dimethylphenyl)pyridin-2-amine?
3-(aminomethyl)-N-(3,5-dimethylphenyl)pyridin-2-amine has a molecular weight of 227.31 g/mol, XLogP of 2.90, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-(3,5-dimethylphenyl)pyridin-2-amine is sourced from PubChem (CID 82081174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).