6-bromo-N-[(3,4-dimethylphenyl)methyl]-2-methylpyridin-3-amine

C15H17BrN2 — CID 114050710

IUPAC6-bromo-N-[(3,4-dimethylphenyl)methyl]-2-methylpyridin-3-amine
SMILESCc1ccc(CNc2ccc(Br)nc2C)cc1C
InChIInChI=1S/C15H17BrN2/c1-10-4-5-13(8-11(10)2)9-17-14-6-7-15(16)18-12(14)3/h4-8,17H,9H2,1-3H3
InChIKeyZXUKWOMELLQSLH-UHFFFAOYSA-N
MW305.22 g/mol
LogP4.38
Rot. Bonds3

About 6-bromo-N-[(3,4-dimethylphenyl)methyl]-2-methylpyridin-3-amine

6-bromo-N-[(3,4-dimethylphenyl)methyl]-2-methylpyridin-3-amine (PubChem CID 114050710) has the molecular formula C15H17BrN2 and a molecular weight of 305.22 g/mol. Its IUPAC name is 6-bromo-N-[(3,4-dimethylphenyl)methyl]-2-methylpyridin-3-amine.

Molecular Properties

Compound Name6-bromo-N-[(3,4-dimethylphenyl)methyl]-2-methylpyridin-3-amine
PubChem CID114050710
Molecular FormulaC15H17BrN2
Molecular Weight305.22 g/mol
Exact Mass304.06
IUPAC Name6-bromo-N-[(3,4-dimethylphenyl)methyl]-2-methylpyridin-3-amine
SMILESCc1ccc(CNc2ccc(Br)nc2C)cc1C
InChIInChI=1S/C15H17BrN2/c1-10-4-5-13(8-11(10)2)9-17-14-6-7-15(16)18-12(14)3/h4-8,17H,9H2,1-3H3
InChIKeyZXUKWOMELLQSLH-UHFFFAOYSA-N
XLogP4.38
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.22
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-bromo-N-[(4-chlorophenyl)methyl]-2-methylpyridin-3-amine
CID 114050706
5-[[(6-bromo-2-methyl-3-pyridinyl)amino]methyl]-2-methoxyphenol
CID 104600016
6-bromo-N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-methylpyridin-3-amine
CID 104600023
6-bromo-N-[[4-(dimethylamino)phenyl]methyl]-2-methylpyridin-3-amine
CID 104600047
6-bromo-2-methyl-N-[(4-nitrophenyl)methyl]pyridin-3-amine
CID 104599960
3-[(3,4-dimethylphenyl)methylamino]-2,6-dimethylphenol
CID 43790197
6-bromo-N-[(2-methoxy-5-methylphenyl)methyl]-2-methylpyridin-3-amine
CID 104599975
6-bromo-N-[(1-ethylpyrazol-4-yl)methyl]-2-methylpyridin-3-amine
CID 113431279
6-bromo-2-methyl-N-[(5-methylthiophen-2-yl)methyl]pyridin-3-amine
CID 104600033
2-bromo-N-[(3,4-dimethylphenyl)methyl]-4-nitroaniline
CID 43790274
6-bromo-N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-methylpyridin-3-amine
CID 113431275
4-[(3,4-dimethylphenyl)methylamino]-2,5-dimethylphenol
CID 106953736

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[(3,4-dimethylphenyl)methyl]-2-methylpyridin-3-amine?
The IUPAC name of 6-bromo-N-[(3,4-dimethylphenyl)methyl]-2-methylpyridin-3-amine (CID 114050710) is 6-bromo-N-[(3,4-dimethylphenyl)methyl]-2-methylpyridin-3-amine.
What is the SMILES notation for 6-bromo-N-[(3,4-dimethylphenyl)methyl]-2-methylpyridin-3-amine?
The canonical SMILES for 6-bromo-N-[(3,4-dimethylphenyl)methyl]-2-methylpyridin-3-amine is Cc1ccc(CNc2ccc(Br)nc2C)cc1C.
What is the InChIKey of 6-bromo-N-[(3,4-dimethylphenyl)methyl]-2-methylpyridin-3-amine?
The InChIKey is ZXUKWOMELLQSLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2/c1-10-4-5-13(8-11(10)2)9-17-14-6-7-15(16)18-12(14)3/h4-8,17H,9H2,1-3H3.
What are the key properties of 6-bromo-N-[(3,4-dimethylphenyl)methyl]-2-methylpyridin-3-amine?
6-bromo-N-[(3,4-dimethylphenyl)methyl]-2-methylpyridin-3-amine has a molecular weight of 305.22 g/mol, XLogP of 4.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[(3,4-dimethylphenyl)methyl]-2-methylpyridin-3-amine is sourced from PubChem (CID 114050710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).