6-(aminomethyl)-N-(4-bromo-2-methylphenyl)pyridin-3-amine

C13H14BrN3 — CID 66616978

IUPAC6-(aminomethyl)-N-(4-bromo-2-methylphenyl)pyridin-3-amine
SMILESCc1cc(Br)ccc1Nc1ccc(CN)nc1
InChIInChI=1S/C13H14BrN3/c1-9-6-10(14)2-5-13(9)17-12-4-3-11(7-15)16-8-12/h2-6,8,17H,7,15H2,1H3
InChIKeyBHIMVZARPJTEKN-UHFFFAOYSA-N
MW292.18 g/mol
LogP3.35
Rot. Bonds3

About 6-(aminomethyl)-N-(4-bromo-2-methylphenyl)pyridin-3-amine

6-(aminomethyl)-N-(4-bromo-2-methylphenyl)pyridin-3-amine (PubChem CID 66616978) has the molecular formula C13H14BrN3 and a molecular weight of 292.18 g/mol. Its IUPAC name is 6-(aminomethyl)-N-(4-bromo-2-methylphenyl)pyridin-3-amine.

Molecular Properties

Compound Name6-(aminomethyl)-N-(4-bromo-2-methylphenyl)pyridin-3-amine
PubChem CID66616978
Molecular FormulaC13H14BrN3
Molecular Weight292.18 g/mol
Exact Mass291.04
IUPAC Name6-(aminomethyl)-N-(4-bromo-2-methylphenyl)pyridin-3-amine
SMILESCc1cc(Br)ccc1Nc1ccc(CN)nc1
InChIInChI=1S/C13H14BrN3/c1-9-6-10(14)2-5-13(9)17-12-4-3-11(7-15)16-8-12/h2-6,8,17H,7,15H2,1H3
InChIKeyBHIMVZARPJTEKN-UHFFFAOYSA-N
XLogP3.35
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.18
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-(aminomethyl)-N-[4-methyl-2-(trifluoromethyl)phenyl]pyridin-3-amine
CID 66617013
5-(4-bromo-2-methylanilino)-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 109183979
5-(4-bromo-2-methylanilino)-N-butylpyridine-2-carboxamide
CID 109180783
[5-(4-bromo-2-methylphenoxy)-2-pyridinyl]methanamine
CID 113320455
5-bromo-N-(4-bromo-2-methylphenyl)-4-methylpyridin-2-amine
CID 114870136
2-N-(4-bromo-2-methylphenyl)benzene-1,2-diamine
CID 18404976
2-(4-bromo-2-methylanilino)-5-(dimethylsulfamoylamino)pyridine
CID 113021518
N-[6-(4-bromo-2-methylanilino)-3-pyridinyl]butane-1-sulfonamide
CID 113021517
1-N-(6-bromonaphthalen-2-yl)-2-methylbenzene-1,4-diamine
CID 81259489
5-(4-fluoro-2-methylanilino)pyridine-2-carbothioamide
CID 115488157
methyl N-[4-(4-bromo-2-methylanilino)phenyl]carbamate
CID 112989101
1-[6-(4-bromo-2-methylanilino)-3-pyridinyl]-3-propan-2-ylurea
CID 113021512

Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-N-(4-bromo-2-methylphenyl)pyridin-3-amine?
The IUPAC name of 6-(aminomethyl)-N-(4-bromo-2-methylphenyl)pyridin-3-amine (CID 66616978) is 6-(aminomethyl)-N-(4-bromo-2-methylphenyl)pyridin-3-amine.
What is the SMILES notation for 6-(aminomethyl)-N-(4-bromo-2-methylphenyl)pyridin-3-amine?
The canonical SMILES for 6-(aminomethyl)-N-(4-bromo-2-methylphenyl)pyridin-3-amine is Cc1cc(Br)ccc1Nc1ccc(CN)nc1.
What is the InChIKey of 6-(aminomethyl)-N-(4-bromo-2-methylphenyl)pyridin-3-amine?
The InChIKey is BHIMVZARPJTEKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3/c1-9-6-10(14)2-5-13(9)17-12-4-3-11(7-15)16-8-12/h2-6,8,17H,7,15H2,1H3.
What are the key properties of 6-(aminomethyl)-N-(4-bromo-2-methylphenyl)pyridin-3-amine?
6-(aminomethyl)-N-(4-bromo-2-methylphenyl)pyridin-3-amine has a molecular weight of 292.18 g/mol, XLogP of 3.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethyl)-N-(4-bromo-2-methylphenyl)pyridin-3-amine is sourced from PubChem (CID 66616978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).