5-bromo-4-methyl-N-[(4-propan-2-yloxyphenyl)methyl]pyridin-2-amine

C16H19BrN2O — CID 115147130

IUPAC5-bromo-4-methyl-N-[(4-propan-2-yloxyphenyl)methyl]pyridin-2-amine
SMILESCc1cc(NCc2ccc(OC(C)C)cc2)ncc1Br
InChIInChI=1S/C16H19BrN2O/c1-11(2)20-14-6-4-13(5-7-14)9-18-16-8-12(3)15(17)10-19-16/h4-8,10-11H,9H2,1-3H3,(H,18,19)
InChIKeyZIFNIAJBRBVQIP-UHFFFAOYSA-N
MW335.25 g/mol
LogP4.55
Rot. Bonds5

About 5-bromo-4-methyl-N-[(4-propan-2-yloxyphenyl)methyl]pyridin-2-amine

5-bromo-4-methyl-N-[(4-propan-2-yloxyphenyl)methyl]pyridin-2-amine (PubChem CID 115147130) has the molecular formula C16H19BrN2O and a molecular weight of 335.25 g/mol. Its IUPAC name is 5-bromo-4-methyl-N-[(4-propan-2-yloxyphenyl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-4-methyl-N-[(4-propan-2-yloxyphenyl)methyl]pyridin-2-amine
PubChem CID115147130
Molecular FormulaC16H19BrN2O
Molecular Weight335.25 g/mol
Exact Mass334.07
IUPAC Name5-bromo-4-methyl-N-[(4-propan-2-yloxyphenyl)methyl]pyridin-2-amine
SMILESCc1cc(NCc2ccc(OC(C)C)cc2)ncc1Br
InChIInChI=1S/C16H19BrN2O/c1-11(2)20-14-6-4-13(5-7-14)9-18-16-8-12(3)15(17)10-19-16/h4-8,10-11H,9H2,1-3H3,(H,18,19)
InChIKeyZIFNIAJBRBVQIP-UHFFFAOYSA-N
XLogP4.55
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.25
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-[(3,4-difluorophenyl)methyl]-4-methylpyridin-2-amine
CID 115773984
5-bromo-N-[(6-methoxy-3-pyridinyl)methyl]-4-methylpyridin-2-amine
CID 115773877
4-bromo-2-methyl-N-[(4-propan-2-yloxyphenyl)methyl]aniline
CID 43226476
2-bromo-5-chloro-N-[(4-propan-2-yloxyphenyl)methyl]aniline
CID 81264088
5-bromo-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyridin-2-amine
CID 115773970
5-bromo-N-[(2,5-dimethylphenyl)methyl]-4-methylpyridin-2-amine
CID 115147105
3-[[(5-bromo-4-methyl-2-pyridinyl)amino]methyl]benzonitrile
CID 113352961
5-bromo-N-(3,4-dihydro-2H-chromen-6-ylmethyl)-4-methylpyridin-2-amine
CID 115147138
N-[(3-bromo-4-methylphenyl)methyl]-2-methyl-4-propan-2-yloxyaniline
CID 105401404
1-N-(5-bromo-4-methyl-2-pyridinyl)-3-methylbutane-1,2-diamine
CID 114869545
2-N-[(4-ethylphenyl)methyl]-4-methylpyridine-2,5-diamine
CID 106899259
2-N-[(4-methoxyphenyl)methyl]-5-methylpyridine-2,4-diamine
CID 83265796

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-methyl-N-[(4-propan-2-yloxyphenyl)methyl]pyridin-2-amine?
The IUPAC name of 5-bromo-4-methyl-N-[(4-propan-2-yloxyphenyl)methyl]pyridin-2-amine (CID 115147130) is 5-bromo-4-methyl-N-[(4-propan-2-yloxyphenyl)methyl]pyridin-2-amine.
What is the SMILES notation for 5-bromo-4-methyl-N-[(4-propan-2-yloxyphenyl)methyl]pyridin-2-amine?
The canonical SMILES for 5-bromo-4-methyl-N-[(4-propan-2-yloxyphenyl)methyl]pyridin-2-amine is Cc1cc(NCc2ccc(OC(C)C)cc2)ncc1Br.
What is the InChIKey of 5-bromo-4-methyl-N-[(4-propan-2-yloxyphenyl)methyl]pyridin-2-amine?
The InChIKey is ZIFNIAJBRBVQIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2O/c1-11(2)20-14-6-4-13(5-7-14)9-18-16-8-12(3)15(17)10-19-16/h4-8,10-11H,9H2,1-3H3,(H,18,19).
What are the key properties of 5-bromo-4-methyl-N-[(4-propan-2-yloxyphenyl)methyl]pyridin-2-amine?
5-bromo-4-methyl-N-[(4-propan-2-yloxyphenyl)methyl]pyridin-2-amine has a molecular weight of 335.25 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-methyl-N-[(4-propan-2-yloxyphenyl)methyl]pyridin-2-amine is sourced from PubChem (CID 115147130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).