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

C15H17BrN2O — CID 105367764

IUPAC3-bromo-N-[(3-methoxyphenyl)methyl]-N,5-dimethylpyridin-2-amine
SMILESCOc1cccc(CN(C)c2ncc(C)cc2Br)c1
InChIInChI=1S/C15H17BrN2O/c1-11-7-14(16)15(17-9-11)18(2)10-12-5-4-6-13(8-12)19-3/h4-9H,10H2,1-3H3
InChIKeyTUQWBNNUPJJOJD-UHFFFAOYSA-N
MW321.22 g/mol
LogP3.80
Rot. Bonds4

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

3-bromo-N-[(3-methoxyphenyl)methyl]-N,5-dimethylpyridin-2-amine (PubChem CID 105367764) has the molecular formula C15H17BrN2O and a molecular weight of 321.22 g/mol. Its IUPAC name is 3-bromo-N-[(3-methoxyphenyl)methyl]-N,5-dimethylpyridin-2-amine.

Molecular Properties

Compound Name3-bromo-N-[(3-methoxyphenyl)methyl]-N,5-dimethylpyridin-2-amine
PubChem CID105367764
Molecular FormulaC15H17BrN2O
Molecular Weight321.22 g/mol
Exact Mass320.05
IUPAC Name3-bromo-N-[(3-methoxyphenyl)methyl]-N,5-dimethylpyridin-2-amine
SMILESCOc1cccc(CN(C)c2ncc(C)cc2Br)c1
InChIInChI=1S/C15H17BrN2O/c1-11-7-14(16)15(17-9-11)18(2)10-12-5-4-6-13(8-12)19-3/h4-9H,10H2,1-3H3
InChIKeyTUQWBNNUPJJOJD-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-3-chloro-N-[(3-methoxyphenyl)methyl]-N-methylpyridin-2-amine
CID 103583219
N-[[4-(aminomethyl)phenyl]methyl]-3-bromo-N,5-dimethylpyridin-2-amine
CID 105366500
5-(chloromethyl)-N-[(3-methoxyphenyl)methyl]-N,3-dimethylpyridin-2-amine
CID 80628764
5-amino-2-[(3-methoxyphenyl)methyl-methylamino]pyridine-3-carbonitrile
CID 61420357
6-bromo-N-[(3-methoxyphenyl)methyl]-N-methylpyridin-2-amine
CID 63962800
5-fluoro-N-[(3-methoxyphenyl)methyl]-N-methylpyrimidin-2-amine
CID 171328588
2-N-[(3-methoxyphenyl)methyl]-2-N-methylpyrimidine-2,5-diamine
CID 61420405
2-N-[(4-methoxyphenyl)methyl]-2-N,5-dimethylpyridine-2,3-diamine
CID 66277992
N-[(3-methoxyphenyl)methyl]-N-methylaniline
CID 66916764
4-N-[(3-methoxyphenyl)methyl]-4-N,2-dimethylpyrimidine-4,6-diamine
CID 80794623
4-(aminomethyl)-N-[(3-methoxyphenyl)methyl]-N,5,6-trimethylpyridazin-3-amine
CID 61420063
[2-[(3-methoxyphenyl)methyl-methylamino]-4,6-dimethyl-3-pyridinyl]methanol
CID 61417707

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(3-methoxyphenyl)methyl]-N,5-dimethylpyridin-2-amine?
The IUPAC name of 3-bromo-N-[(3-methoxyphenyl)methyl]-N,5-dimethylpyridin-2-amine (CID 105367764) is 3-bromo-N-[(3-methoxyphenyl)methyl]-N,5-dimethylpyridin-2-amine.
What is the SMILES notation for 3-bromo-N-[(3-methoxyphenyl)methyl]-N,5-dimethylpyridin-2-amine?
The canonical SMILES for 3-bromo-N-[(3-methoxyphenyl)methyl]-N,5-dimethylpyridin-2-amine is COc1cccc(CN(C)c2ncc(C)cc2Br)c1.
What is the InChIKey of 3-bromo-N-[(3-methoxyphenyl)methyl]-N,5-dimethylpyridin-2-amine?
The InChIKey is TUQWBNNUPJJOJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O/c1-11-7-14(16)15(17-9-11)18(2)10-12-5-4-6-13(8-12)19-3/h4-9H,10H2,1-3H3.
What are the key properties of 3-bromo-N-[(3-methoxyphenyl)methyl]-N,5-dimethylpyridin-2-amine?
3-bromo-N-[(3-methoxyphenyl)methyl]-N,5-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-[(3-methoxyphenyl)methyl]-N,5-dimethylpyridin-2-amine is sourced from PubChem (CID 105367764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).