3-(aminomethyl)-5-bromo-N-methyl-N-(2-methylphenyl)pyridin-2-amine

C14H16BrN3 — CID 62286545

IUPAC3-(aminomethyl)-5-bromo-N-methyl-N-(2-methylphenyl)pyridin-2-amine
SMILESCc1ccccc1N(C)c1ncc(Br)cc1CN
InChIInChI=1S/C14H16BrN3/c1-10-5-3-4-6-13(10)18(2)14-11(8-16)7-12(15)9-17-14/h3-7,9H,8,16H2,1-2H3
InChIKeyWTNBHOUDKQOIOR-UHFFFAOYSA-N
MW306.21 g/mol
LogP3.38
Rot. Bonds3

About 3-(aminomethyl)-5-bromo-N-methyl-N-(2-methylphenyl)pyridin-2-amine

3-(aminomethyl)-5-bromo-N-methyl-N-(2-methylphenyl)pyridin-2-amine (PubChem CID 62286545) has the molecular formula C14H16BrN3 and a molecular weight of 306.21 g/mol. Its IUPAC name is 3-(aminomethyl)-5-bromo-N-methyl-N-(2-methylphenyl)pyridin-2-amine.

Molecular Properties

Compound Name3-(aminomethyl)-5-bromo-N-methyl-N-(2-methylphenyl)pyridin-2-amine
PubChem CID62286545
Molecular FormulaC14H16BrN3
Molecular Weight306.21 g/mol
Exact Mass305.05
IUPAC Name3-(aminomethyl)-5-bromo-N-methyl-N-(2-methylphenyl)pyridin-2-amine
SMILESCc1ccccc1N(C)c1ncc(Br)cc1CN
InChIInChI=1S/C14H16BrN3/c1-10-5-3-4-6-13(10)18(2)14-11(8-16)7-12(15)9-17-14/h3-7,9H,8,16H2,1-2H3
InChIKeyWTNBHOUDKQOIOR-UHFFFAOYSA-N
XLogP3.38
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.21
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(aminomethyl)-5-bromo-N-(2,4-dimethylphenyl)-N-methylpyridin-2-amine
CID 55054981
3-(aminomethyl)-5-bromo-N-[(2-bromophenyl)methyl]-N-methylpyridin-2-amine
CID 62286034
5-bromo-N-methyl-N-(2-methylphenyl)pyridin-2-amine
CID 55208018
N-[2-(aminomethyl)phenyl]-3-bromo-5-chloro-N-methylpyridin-2-amine
CID 114835457
3-(aminomethyl)-5-bromo-N-butyl-N-methylpyridin-2-amine
CID 62299284
3-(aminomethyl)-5-bromo-N-butyl-N-phenylpyridin-2-amine
CID 64584277
5-bromo-3-chloro-N-ethyl-N-(2-methylphenyl)pyridin-2-amine
CID 103583130
6-(aminomethyl)-N-methyl-N-(2-methylphenyl)pyridin-3-amine
CID 115486981
N-[4-(aminomethyl)phenyl]-5-bromo-N,3-dimethylpyridin-2-amine
CID 79712553
5-(2-aminopropyl)-N,3-dimethyl-N-(2-methylphenyl)pyridin-2-amine
CID 80634444
2-(aminomethyl)-4-chloro-N-methyl-N-(2-methylphenyl)aniline
CID 62493495
5-(2-aminobutyl)-N,3-dimethyl-N-(2-methylphenyl)pyridin-2-amine
CID 80630732

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-5-bromo-N-methyl-N-(2-methylphenyl)pyridin-2-amine?
The IUPAC name of 3-(aminomethyl)-5-bromo-N-methyl-N-(2-methylphenyl)pyridin-2-amine (CID 62286545) is 3-(aminomethyl)-5-bromo-N-methyl-N-(2-methylphenyl)pyridin-2-amine.
What is the SMILES notation for 3-(aminomethyl)-5-bromo-N-methyl-N-(2-methylphenyl)pyridin-2-amine?
The canonical SMILES for 3-(aminomethyl)-5-bromo-N-methyl-N-(2-methylphenyl)pyridin-2-amine is Cc1ccccc1N(C)c1ncc(Br)cc1CN.
What is the InChIKey of 3-(aminomethyl)-5-bromo-N-methyl-N-(2-methylphenyl)pyridin-2-amine?
The InChIKey is WTNBHOUDKQOIOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3/c1-10-5-3-4-6-13(10)18(2)14-11(8-16)7-12(15)9-17-14/h3-7,9H,8,16H2,1-2H3.
What are the key properties of 3-(aminomethyl)-5-bromo-N-methyl-N-(2-methylphenyl)pyridin-2-amine?
3-(aminomethyl)-5-bromo-N-methyl-N-(2-methylphenyl)pyridin-2-amine has a molecular weight of 306.21 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-5-bromo-N-methyl-N-(2-methylphenyl)pyridin-2-amine is sourced from PubChem (CID 62286545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).