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

C15H17BrN2O — CID 106876733

IUPAC3-bromo-N-[(4-methoxyphenyl)methyl]-N,4-dimethylpyridin-2-amine
SMILESCOc1ccc(CN(C)c2nccc(C)c2Br)cc1
InChIInChI=1S/C15H17BrN2O/c1-11-8-9-17-15(14(11)16)18(2)10-12-4-6-13(19-3)7-5-12/h4-9H,10H2,1-3H3
InChIKeyDUPOJCWEDHLNCV-UHFFFAOYSA-N
MW321.22 g/mol
LogP3.80
Rot. Bonds4

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

3-bromo-N-[(4-methoxyphenyl)methyl]-N,4-dimethylpyridin-2-amine (PubChem CID 106876733) has the molecular formula C15H17BrN2O and a molecular weight of 321.22 g/mol. Its IUPAC name is 3-bromo-N-[(4-methoxyphenyl)methyl]-N,4-dimethylpyridin-2-amine.

Molecular Properties

Compound Name3-bromo-N-[(4-methoxyphenyl)methyl]-N,4-dimethylpyridin-2-amine
PubChem CID106876733
Molecular FormulaC15H17BrN2O
Molecular Weight321.22 g/mol
Exact Mass320.05
IUPAC Name3-bromo-N-[(4-methoxyphenyl)methyl]-N,4-dimethylpyridin-2-amine
SMILESCOc1ccc(CN(C)c2nccc(C)c2Br)cc1
InChIInChI=1S/C15H17BrN2O/c1-11-8-9-17-15(14(11)16)18(2)10-12-4-6-13(19-3)7-5-12/h4-9H,10H2,1-3H3
InChIKeyDUPOJCWEDHLNCV-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-[(4-methoxyphenyl)methyl]-N,3-dimethylpyridin-2-amine
CID 112697433
3-bromo-N-(furan-3-ylmethyl)-N,4-dimethylpyridin-2-amine
CID 106876742
3-bromo-N-[(5-bromothiophen-3-yl)methyl]-N,4-dimethylpyridin-2-amine
CID 106876846
3-bromo-2-[(4-methoxyphenyl)methoxy]-4-methylpyridine
CID 67000104
[2-[(4-methoxyphenyl)methyl-methylamino]-3-pyridinyl]methanol
CID 55134024
N-[(4-methoxyphenyl)methyl]-N,5,6-trimethylpyrimidin-4-amine
CID 165435267
4-methoxy-N-[(4-methoxyphenyl)methyl]-N-methylpyrimidin-2-amine
CID 165433420
4-(bromomethyl)-N-[(4-methoxyphenyl)methyl]-N-methylpyridin-2-amine
CID 139548865
6-bromo-N-[(4-methoxyphenyl)methyl]-N-methylimidazo[1,2-a]pyrazin-8-amine
CID 79953825
N'-(3-bromo-4-methyl-2-pyridinyl)-N'-(4-methoxyphenyl)propane-1,3-diamine
CID 106875227
3-bromo-N-(2,2-dimethylpropyl)-N,4-dimethylpyridin-2-amine
CID 106876953
4-N-[(4-methoxyphenyl)methyl]-4-N,5-dimethylpyrimidine-4,6-diamine
CID 80794758

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(4-methoxyphenyl)methyl]-N,4-dimethylpyridin-2-amine?
The IUPAC name of 3-bromo-N-[(4-methoxyphenyl)methyl]-N,4-dimethylpyridin-2-amine (CID 106876733) is 3-bromo-N-[(4-methoxyphenyl)methyl]-N,4-dimethylpyridin-2-amine.
What is the SMILES notation for 3-bromo-N-[(4-methoxyphenyl)methyl]-N,4-dimethylpyridin-2-amine?
The canonical SMILES for 3-bromo-N-[(4-methoxyphenyl)methyl]-N,4-dimethylpyridin-2-amine is COc1ccc(CN(C)c2nccc(C)c2Br)cc1.
What is the InChIKey of 3-bromo-N-[(4-methoxyphenyl)methyl]-N,4-dimethylpyridin-2-amine?
The InChIKey is DUPOJCWEDHLNCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O/c1-11-8-9-17-15(14(11)16)18(2)10-12-4-6-13(19-3)7-5-12/h4-9H,10H2,1-3H3.
What are the key properties of 3-bromo-N-[(4-methoxyphenyl)methyl]-N,4-dimethylpyridin-2-amine?
3-bromo-N-[(4-methoxyphenyl)methyl]-N,4-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 3-bromo-N-[(4-methoxyphenyl)methyl]-N,4-dimethylpyridin-2-amine is sourced from PubChem (CID 106876733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).