5-bromo-4-methyl-N-[4-(2-methylpropyl)phenyl]pyridin-2-amine

C16H19BrN2 — CID 115146959

IUPAC5-bromo-4-methyl-N-[4-(2-methylpropyl)phenyl]pyridin-2-amine
SMILESCc1cc(Nc2ccc(CC(C)C)cc2)ncc1Br
InChIInChI=1S/C16H19BrN2/c1-11(2)8-13-4-6-14(7-5-13)19-16-9-12(3)15(17)10-18-16/h4-7,9-11H,8H2,1-3H3,(H,18,19)
InChIKeyPBDXSAMPIHWKGH-UHFFFAOYSA-N
MW319.25 g/mol
LogP5.09
Rot. Bonds4

About 5-bromo-4-methyl-N-[4-(2-methylpropyl)phenyl]pyridin-2-amine

5-bromo-4-methyl-N-[4-(2-methylpropyl)phenyl]pyridin-2-amine (PubChem CID 115146959) has the molecular formula C16H19BrN2 and a molecular weight of 319.25 g/mol. Its IUPAC name is 5-bromo-4-methyl-N-[4-(2-methylpropyl)phenyl]pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-4-methyl-N-[4-(2-methylpropyl)phenyl]pyridin-2-amine
PubChem CID115146959
Molecular FormulaC16H19BrN2
Molecular Weight319.25 g/mol
Exact Mass318.07
IUPAC Name5-bromo-4-methyl-N-[4-(2-methylpropyl)phenyl]pyridin-2-amine
SMILESCc1cc(Nc2ccc(CC(C)C)cc2)ncc1Br
InChIInChI=1S/C16H19BrN2/c1-11(2)8-13-4-6-14(7-5-13)19-16-9-12(3)15(17)10-18-16/h4-7,9-11H,8H2,1-3H3,(H,18,19)
InChIKeyPBDXSAMPIHWKGH-UHFFFAOYSA-N
XLogP5.09
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.25
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-[4-(methoxymethyl)phenyl]-4-methylpyridin-2-amine
CID 114252835
5-N-(5-bromo-4-methyl-2-pyridinyl)-2-N,2-N-dimethylpyridine-2,5-diamine
CID 155298292
5-bromo-4-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]pyridin-2-amine
CID 114870519
3-N-(5-bromo-4-methyl-2-pyridinyl)benzene-1,3-diamine
CID 114869099
N-(5-bromo-4-methyl-2-pyridinyl)-1,3-benzothiazol-6-amine
CID 107801119
5-[(5-bromo-4-methyl-2-pyridinyl)amino]-1,3-dihydrobenzimidazol-2-one
CID 115147001
5-bromo-N-(4-methoxy-3,5-dimethylphenyl)-4-methylpyridin-2-amine
CID 115147018
5-bromo-4-methyl-N-[(4-propan-2-yloxyphenyl)methyl]pyridin-2-amine
CID 115147130
5-bromo-N-[(2S)-butan-2-yl]-4-methylpyridin-2-amine
CID 86323877
5-bromo-4-methyl-N-(2-methylsulfanylphenyl)pyridin-2-amine
CID 107645866
4-[6-[4-(2-methylpropyl)anilino]-3-pyridinyl]benzonitrile
CID 166471244
5-bromo-N-(2,5-dimethylphenyl)-4-methylpyridin-2-amine
CID 114870190

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-methyl-N-[4-(2-methylpropyl)phenyl]pyridin-2-amine?
The IUPAC name of 5-bromo-4-methyl-N-[4-(2-methylpropyl)phenyl]pyridin-2-amine (CID 115146959) is 5-bromo-4-methyl-N-[4-(2-methylpropyl)phenyl]pyridin-2-amine.
What is the SMILES notation for 5-bromo-4-methyl-N-[4-(2-methylpropyl)phenyl]pyridin-2-amine?
The canonical SMILES for 5-bromo-4-methyl-N-[4-(2-methylpropyl)phenyl]pyridin-2-amine is Cc1cc(Nc2ccc(CC(C)C)cc2)ncc1Br.
What is the InChIKey of 5-bromo-4-methyl-N-[4-(2-methylpropyl)phenyl]pyridin-2-amine?
The InChIKey is PBDXSAMPIHWKGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2/c1-11(2)8-13-4-6-14(7-5-13)19-16-9-12(3)15(17)10-18-16/h4-7,9-11H,8H2,1-3H3,(H,18,19).
What are the key properties of 5-bromo-4-methyl-N-[4-(2-methylpropyl)phenyl]pyridin-2-amine?
5-bromo-4-methyl-N-[4-(2-methylpropyl)phenyl]pyridin-2-amine has a molecular weight of 319.25 g/mol, XLogP of 5.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-methyl-N-[4-(2-methylpropyl)phenyl]pyridin-2-amine is sourced from PubChem (CID 115146959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).