5-bromo-N-[(2,5-dimethylphenyl)methyl]-4-methylpyridin-2-amine

C15H17BrN2 — CID 115147105

IUPAC5-bromo-N-[(2,5-dimethylphenyl)methyl]-4-methylpyridin-2-amine
SMILESCc1ccc(C)c(CNc2cc(C)c(Br)cn2)c1
InChIInChI=1S/C15H17BrN2/c1-10-4-5-11(2)13(6-10)8-17-15-7-12(3)14(16)9-18-15/h4-7,9H,8H2,1-3H3,(H,17,18)
InChIKeyLKBCGTSALSVITE-UHFFFAOYSA-N
MW305.22 g/mol
LogP4.38
Rot. Bonds3

About 5-bromo-N-[(2,5-dimethylphenyl)methyl]-4-methylpyridin-2-amine

5-bromo-N-[(2,5-dimethylphenyl)methyl]-4-methylpyridin-2-amine (PubChem CID 115147105) has the molecular formula C15H17BrN2 and a molecular weight of 305.22 g/mol. Its IUPAC name is 5-bromo-N-[(2,5-dimethylphenyl)methyl]-4-methylpyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-[(2,5-dimethylphenyl)methyl]-4-methylpyridin-2-amine
PubChem CID115147105
Molecular FormulaC15H17BrN2
Molecular Weight305.22 g/mol
Exact Mass304.06
IUPAC Name5-bromo-N-[(2,5-dimethylphenyl)methyl]-4-methylpyridin-2-amine
SMILESCc1ccc(C)c(CNc2cc(C)c(Br)cn2)c1
InChIInChI=1S/C15H17BrN2/c1-10-4-5-11(2)13(6-10)8-17-15-7-12(3)14(16)9-18-15/h4-7,9H,8H2,1-3H3,(H,17,18)
InChIKeyLKBCGTSALSVITE-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

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Related Compounds

4-N-[(2,5-dimethylphenyl)methyl]-6-N-methylpyrimidine-4,6-diamine
CID 115265489
5-bromo-N-(2,5-dimethylphenyl)-4-methylpyridin-2-amine
CID 114870190
2,6-dibromo-N-[(2,5-dimethylphenyl)methyl]-4-methylaniline
CID 63422057
5-bromo-4-methyl-N-[[2-(methylsulfonylmethyl)phenyl]methyl]pyridin-2-amine
CID 133403895
5-bromo-N-[(3,4-difluorophenyl)methyl]-4-methylpyridin-2-amine
CID 115773984
2,4,6-tribromo-N-[(2,5-dimethylphenyl)methyl]aniline
CID 63425110
5-bromo-N-(2-bromo-5-methylphenyl)-4-methylpyridin-2-amine
CID 114870518
3-[(5-bromo-4-methyl-2-pyridinyl)amino]propan-1-ol
CID 53409461
5-bromo-4-methyl-N-pentylpyridin-2-amine
CID 70003079
N-[(2,5-dimethylphenyl)methyl]-3,5-dimethylaniline
CID 60685873
5-bromo-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methylpyridin-2-amine
CID 115886989
N'-(5-bromo-4-methyl-2-pyridinyl)-N-propylethane-1,2-diamine
CID 114869496

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(2,5-dimethylphenyl)methyl]-4-methylpyridin-2-amine?
The IUPAC name of 5-bromo-N-[(2,5-dimethylphenyl)methyl]-4-methylpyridin-2-amine (CID 115147105) is 5-bromo-N-[(2,5-dimethylphenyl)methyl]-4-methylpyridin-2-amine.
What is the SMILES notation for 5-bromo-N-[(2,5-dimethylphenyl)methyl]-4-methylpyridin-2-amine?
The canonical SMILES for 5-bromo-N-[(2,5-dimethylphenyl)methyl]-4-methylpyridin-2-amine is Cc1ccc(C)c(CNc2cc(C)c(Br)cn2)c1.
What is the InChIKey of 5-bromo-N-[(2,5-dimethylphenyl)methyl]-4-methylpyridin-2-amine?
The InChIKey is LKBCGTSALSVITE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2/c1-10-4-5-11(2)13(6-10)8-17-15-7-12(3)14(16)9-18-15/h4-7,9H,8H2,1-3H3,(H,17,18).
What are the key properties of 5-bromo-N-[(2,5-dimethylphenyl)methyl]-4-methylpyridin-2-amine?
5-bromo-N-[(2,5-dimethylphenyl)methyl]-4-methylpyridin-2-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 5-bromo-N-[(2,5-dimethylphenyl)methyl]-4-methylpyridin-2-amine is sourced from PubChem (CID 115147105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).