5-bromo-N-[(4-methoxyphenyl)methyl]-N,3-dimethylpyridin-2-amine

C15H17BrN2O — CID 112697433

IUPAC5-bromo-N-[(4-methoxyphenyl)methyl]-N,3-dimethylpyridin-2-amine
SMILESCOc1ccc(CN(C)c2ncc(Br)cc2C)cc1
InChIInChI=1S/C15H17BrN2O/c1-11-8-13(16)9-17-15(11)18(2)10-12-4-6-14(19-3)7-5-12/h4-9H,10H2,1-3H3
InChIKeyGXOMSRKEQZAPAW-UHFFFAOYSA-N
MW321.22 g/mol
LogP3.80
Rot. Bonds4

About 5-bromo-N-[(4-methoxyphenyl)methyl]-N,3-dimethylpyridin-2-amine

5-bromo-N-[(4-methoxyphenyl)methyl]-N,3-dimethylpyridin-2-amine (PubChem CID 112697433) has the molecular formula C15H17BrN2O and a molecular weight of 321.22 g/mol. Its IUPAC name is 5-bromo-N-[(4-methoxyphenyl)methyl]-N,3-dimethylpyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-[(4-methoxyphenyl)methyl]-N,3-dimethylpyridin-2-amine
PubChem CID112697433
Molecular FormulaC15H17BrN2O
Molecular Weight321.22 g/mol
Exact Mass320.05
IUPAC Name5-bromo-N-[(4-methoxyphenyl)methyl]-N,3-dimethylpyridin-2-amine
SMILESCOc1ccc(CN(C)c2ncc(Br)cc2C)cc1
InChIInChI=1S/C15H17BrN2O/c1-11-8-13(16)9-17-15(11)18(2)10-12-4-6-14(19-3)7-5-12/h4-9H,10H2,1-3H3
InChIKeyGXOMSRKEQZAPAW-UHFFFAOYSA-N
XLogP3.80
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.22
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-[(3-fluoro-4-methoxyphenyl)methyl]-N,3-dimethylpyridin-2-amine
CID 115148613
4-[[(5-bromo-3-methyl-2-pyridinyl)-methylamino]methyl]benzonitrile
CID 133373673
3-bromo-N-[(4-methoxyphenyl)methyl]-N,4-dimethylpyridin-2-amine
CID 106876733
4-bromo-N-[(4-methoxyphenyl)methyl]-N,2-dimethylaniline
CID 22042659
2-N-[(4-methoxyphenyl)methyl]-2-N,5-dimethylpyridine-2,3-diamine
CID 66277992
5-bromo-N-[(2,5-dimethylphenyl)methyl]-N,3-dimethylpyridin-2-amine
CID 115148609
6-[(4-bromophenyl)methyl-methylamino]-5-methylpyridine-3-carbaldehyde
CID 80636625
5-bromo-N,3-dimethyl-N-[2-(4-methylphenyl)ethyl]pyridin-2-amine
CID 115148671
5-bromo-3-chloro-N-[(3-methoxyphenyl)methyl]-N-methylpyridin-2-amine
CID 103583219
N-[(4-methoxyphenyl)methyl]-N,5,6-trimethylpyrimidin-4-amine
CID 165435267
N-[4-(aminomethyl)phenyl]-5-bromo-N,3-dimethylpyridin-2-amine
CID 79712553
3-(aminomethyl)-N-[(4-methoxyphenyl)methyl]-N,4,6-trimethylpyridin-2-amine
CID 61419922

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(4-methoxyphenyl)methyl]-N,3-dimethylpyridin-2-amine?
The IUPAC name of 5-bromo-N-[(4-methoxyphenyl)methyl]-N,3-dimethylpyridin-2-amine (CID 112697433) is 5-bromo-N-[(4-methoxyphenyl)methyl]-N,3-dimethylpyridin-2-amine.
What is the SMILES notation for 5-bromo-N-[(4-methoxyphenyl)methyl]-N,3-dimethylpyridin-2-amine?
The canonical SMILES for 5-bromo-N-[(4-methoxyphenyl)methyl]-N,3-dimethylpyridin-2-amine is COc1ccc(CN(C)c2ncc(Br)cc2C)cc1.
What is the InChIKey of 5-bromo-N-[(4-methoxyphenyl)methyl]-N,3-dimethylpyridin-2-amine?
The InChIKey is GXOMSRKEQZAPAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O/c1-11-8-13(16)9-17-15(11)18(2)10-12-4-6-14(19-3)7-5-12/h4-9H,10H2,1-3H3.
What are the key properties of 5-bromo-N-[(4-methoxyphenyl)methyl]-N,3-dimethylpyridin-2-amine?
5-bromo-N-[(4-methoxyphenyl)methyl]-N,3-dimethylpyridin-2-amine has a molecular weight of 321.22 g/mol, XLogP of 3.80, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(4-methoxyphenyl)methyl]-N,3-dimethylpyridin-2-amine is sourced from PubChem (CID 112697433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).