3-[(4-bromo-2-methylphenyl)-(methylamino)methyl]pyridin-4-amine

C14H16BrN3 — CID 103083626

IUPAC3-[(4-bromo-2-methylphenyl)-(methylamino)methyl]pyridin-4-amine
SMILESCNC(c1ccc(Br)cc1C)c1cnccc1N
InChIInChI=1S/C14H16BrN3/c1-9-7-10(15)3-4-11(9)14(17-2)12-8-18-6-5-13(12)16/h3-8,14,17H,1-2H3,(H2,16,18)
InChIKeyGCEYWGUOXKMCEW-UHFFFAOYSA-N
MW306.21 g/mol
LogP3.04
Rot. Bonds3

About 3-[(4-bromo-2-methylphenyl)-(methylamino)methyl]pyridin-4-amine

3-[(4-bromo-2-methylphenyl)-(methylamino)methyl]pyridin-4-amine (PubChem CID 103083626) has the molecular formula C14H16BrN3 and a molecular weight of 306.21 g/mol. Its IUPAC name is 3-[(4-bromo-2-methylphenyl)-(methylamino)methyl]pyridin-4-amine.

Molecular Properties

Compound Name3-[(4-bromo-2-methylphenyl)-(methylamino)methyl]pyridin-4-amine
PubChem CID103083626
Molecular FormulaC14H16BrN3
Molecular Weight306.21 g/mol
Exact Mass305.05
IUPAC Name3-[(4-bromo-2-methylphenyl)-(methylamino)methyl]pyridin-4-amine
SMILESCNC(c1ccc(Br)cc1C)c1cnccc1N
InChIInChI=1S/C14H16BrN3/c1-9-7-10(15)3-4-11(9)14(17-2)12-8-18-6-5-13(12)16/h3-8,14,17H,1-2H3,(H2,16,18)
InChIKeyGCEYWGUOXKMCEW-UHFFFAOYSA-N
XLogP3.04
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.21
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[amino-(4-bromo-2-methylphenyl)methyl]pyridin-4-amine
CID 103083620
3-[(4-bromo-3,5-dimethylphenyl)-hydrazinylmethyl]pyridin-4-amine
CID 105279471
3-[(4-bromo-2-fluorophenyl)-hydrazinylmethyl]pyridin-4-amine
CID 105280899
1-(5-bromo-2-fluorophenyl)-1-(4-bromo-2-methylphenyl)-N-methylmethanamine
CID 105011744
1-(4-bromo-2-methylphenyl)-1-(2-chloro-4,5-dimethylphenyl)-N-methylmethanamine
CID 115483839
N-methyl-1-(4-methyl-3-pyridinyl)-1-(2,4,5-trimethylphenyl)methanamine
CID 114878144
1-(4-bromo-2-fluorophenyl)-N-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102708596
1-(4-bromo-3,5-dimethylphenyl)-N-methyl-1-(4-methyl-3-pyridinyl)methanamine
CID 114330552
1-(4-methoxy-2-methylphenyl)-N-methyl-1-(4-methyl-3-pyridinyl)methanamine
CID 114878225
1-(4-bromo-2-methylphenyl)-1-(2-fluorophenyl)-N-methylmethanamine
CID 115827845
3-[hydrazinyl-(2-methylphenyl)methyl]pyridin-4-amine
CID 105200409
1-(3-chloro-4-pyridinyl)-1-(2,4-dimethylphenyl)-N-methylmethanamine
CID 105145337

Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromo-2-methylphenyl)-(methylamino)methyl]pyridin-4-amine?
The IUPAC name of 3-[(4-bromo-2-methylphenyl)-(methylamino)methyl]pyridin-4-amine (CID 103083626) is 3-[(4-bromo-2-methylphenyl)-(methylamino)methyl]pyridin-4-amine.
What is the SMILES notation for 3-[(4-bromo-2-methylphenyl)-(methylamino)methyl]pyridin-4-amine?
The canonical SMILES for 3-[(4-bromo-2-methylphenyl)-(methylamino)methyl]pyridin-4-amine is CNC(c1ccc(Br)cc1C)c1cnccc1N.
What is the InChIKey of 3-[(4-bromo-2-methylphenyl)-(methylamino)methyl]pyridin-4-amine?
The InChIKey is GCEYWGUOXKMCEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3/c1-9-7-10(15)3-4-11(9)14(17-2)12-8-18-6-5-13(12)16/h3-8,14,17H,1-2H3,(H2,16,18).
What are the key properties of 3-[(4-bromo-2-methylphenyl)-(methylamino)methyl]pyridin-4-amine?
3-[(4-bromo-2-methylphenyl)-(methylamino)methyl]pyridin-4-amine has a molecular weight of 306.21 g/mol, XLogP of 3.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromo-2-methylphenyl)-(methylamino)methyl]pyridin-4-amine is sourced from PubChem (CID 103083626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).