5-bromo-N-[(4-butan-2-ylphenyl)methyl]-6-methylpyridin-2-amine

C17H21BrN2 — CID 115148250

IUPAC5-bromo-N-[(4-butan-2-ylphenyl)methyl]-6-methylpyridin-2-amine
SMILESCCC(C)c1ccc(CNc2ccc(Br)c(C)n2)cc1
InChIInChI=1S/C17H21BrN2/c1-4-12(2)15-7-5-14(6-8-15)11-19-17-10-9-16(18)13(3)20-17/h5-10,12H,4,11H2,1-3H3,(H,19,20)
InChIKeyRXWLERUUBAVURN-UHFFFAOYSA-N
MW333.27 g/mol
LogP5.28
Rot. Bonds5

About 5-bromo-N-[(4-butan-2-ylphenyl)methyl]-6-methylpyridin-2-amine

5-bromo-N-[(4-butan-2-ylphenyl)methyl]-6-methylpyridin-2-amine (PubChem CID 115148250) has the molecular formula C17H21BrN2 and a molecular weight of 333.27 g/mol. Its IUPAC name is 5-bromo-N-[(4-butan-2-ylphenyl)methyl]-6-methylpyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-[(4-butan-2-ylphenyl)methyl]-6-methylpyridin-2-amine
PubChem CID115148250
Molecular FormulaC17H21BrN2
Molecular Weight333.27 g/mol
Exact Mass332.09
IUPAC Name5-bromo-N-[(4-butan-2-ylphenyl)methyl]-6-methylpyridin-2-amine
SMILESCCC(C)c1ccc(CNc2ccc(Br)c(C)n2)cc1
InChIInChI=1S/C17H21BrN2/c1-4-12(2)15-7-5-14(6-8-15)11-19-17-10-9-16(18)13(3)20-17/h5-10,12H,4,11H2,1-3H3,(H,19,20)
InChIKeyRXWLERUUBAVURN-UHFFFAOYSA-N
XLogP5.28
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.27
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-6-methyl-N-[(4-methylphenyl)methyl]pyridin-2-amine
CID 58338424
5-bromo-N-[(4-butan-2-ylphenyl)methyl]pyridin-2-amine
CID 115146662
5-[[(5-bromo-6-methyl-2-pyridinyl)amino]methyl]-1,3-dihydrobenzimidazol-2-one
CID 115148277
4-butan-2-yl-N-[(4-chlorophenyl)methyl]aniline
CID 43230048
5-[[(5-bromo-6-methyl-2-pyridinyl)amino]methyl]-1,3-dihydroindol-2-one
CID 115148256
5-bromo-6-methyl-N-(2,2,3,3-tetramethylbutyl)pyridin-2-amine
CID 115148384
5-bromo-6-methyl-N-[(5-methyl-1,3-oxazol-4-yl)methyl]pyridin-2-amine
CID 133451900
5-bromo-6-methyl-N-pent-1-yn-3-ylpyridin-2-amine
CID 106231323
4-butan-2-yl-N-[(4-methylsulfanylphenyl)methyl]aniline
CID 43230072
1-[6-[[(5-bromo-6-methyl-2-pyridinyl)amino]methyl]-2-methyl-3-pyridinyl]ethanone
CID 133451908
6-N-[(4-propan-2-ylphenyl)methyl]-2-N-propylpyridine-2,6-diamine
CID 80793098
N-(5-bromo-6-methyl-2-pyridinyl)-N',N'-diethylpropane-1,3-diamine
CID 106544023

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(4-butan-2-ylphenyl)methyl]-6-methylpyridin-2-amine?
The IUPAC name of 5-bromo-N-[(4-butan-2-ylphenyl)methyl]-6-methylpyridin-2-amine (CID 115148250) is 5-bromo-N-[(4-butan-2-ylphenyl)methyl]-6-methylpyridin-2-amine.
What is the SMILES notation for 5-bromo-N-[(4-butan-2-ylphenyl)methyl]-6-methylpyridin-2-amine?
The canonical SMILES for 5-bromo-N-[(4-butan-2-ylphenyl)methyl]-6-methylpyridin-2-amine is CCC(C)c1ccc(CNc2ccc(Br)c(C)n2)cc1.
What is the InChIKey of 5-bromo-N-[(4-butan-2-ylphenyl)methyl]-6-methylpyridin-2-amine?
The InChIKey is RXWLERUUBAVURN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN2/c1-4-12(2)15-7-5-14(6-8-15)11-19-17-10-9-16(18)13(3)20-17/h5-10,12H,4,11H2,1-3H3,(H,19,20).
What are the key properties of 5-bromo-N-[(4-butan-2-ylphenyl)methyl]-6-methylpyridin-2-amine?
5-bromo-N-[(4-butan-2-ylphenyl)methyl]-6-methylpyridin-2-amine has a molecular weight of 333.27 g/mol, XLogP of 5.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(4-butan-2-ylphenyl)methyl]-6-methylpyridin-2-amine is sourced from PubChem (CID 115148250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).