1-(4-bromophenyl)-N-[(3,4-dimethylphenyl)methyl]ethanamine

C17H20BrN — CID 60658197

IUPAC1-(4-bromophenyl)-N-[(3,4-dimethylphenyl)methyl]ethanamine
SMILESCc1ccc(CNC(C)c2ccc(Br)cc2)cc1C
InChIInChI=1S/C17H20BrN/c1-12-4-5-15(10-13(12)2)11-19-14(3)16-6-8-17(18)9-7-16/h4-10,14,19H,11H2,1-3H3
InChIKeyRAFUNGFLUGPCJL-UHFFFAOYSA-N
MW318.26 g/mol
LogP4.92
Rot. Bonds4

About 1-(4-bromophenyl)-N-[(3,4-dimethylphenyl)methyl]ethanamine

1-(4-bromophenyl)-N-[(3,4-dimethylphenyl)methyl]ethanamine (PubChem CID 60658197) has the molecular formula C17H20BrN and a molecular weight of 318.26 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-[(3,4-dimethylphenyl)methyl]ethanamine.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-[(3,4-dimethylphenyl)methyl]ethanamine
PubChem CID60658197
Molecular FormulaC17H20BrN
Molecular Weight318.26 g/mol
Exact Mass317.08
IUPAC Name1-(4-bromophenyl)-N-[(3,4-dimethylphenyl)methyl]ethanamine
SMILESCc1ccc(CNC(C)c2ccc(Br)cc2)cc1C
InChIInChI=1S/C17H20BrN/c1-12-4-5-15(10-13(12)2)11-19-14(3)16-6-8-17(18)9-7-16/h4-10,14,19H,11H2,1-3H3
InChIKeyRAFUNGFLUGPCJL-UHFFFAOYSA-N
XLogP4.92
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.26
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-N-[(4-bromo-3-methylphenyl)methyl]-1-(4-bromophenyl)ethanamine
CID 81355163
(1S)-1-(4-bromophenyl)-N-[(4-fluoro-3-methylphenyl)methyl]ethanamine
CID 81353609
(1R)-N-[(3,4-dimethylphenyl)methyl]-1-(4-fluorophenyl)ethanamine
CID 81347067
1-(4-bromophenyl)-N-[(3-methylphenyl)methyl]ethanamine
CID 43181981
4-[[[(1R)-1-(4-bromophenyl)ethyl]amino]methyl]benzene-1,2-diol
CID 81353571
(1S)-1-(4-bromophenyl)-N-[(2,4,5-trimethylphenyl)methyl]ethanamine
CID 81360176
(1S)-N-[(3-bromo-4-chlorophenyl)methyl]-1-(4-bromophenyl)ethanamine
CID 83230594
1-(4-bromophenyl)-N-[(4-ethylphenyl)methyl]ethanamine
CID 60658167
(1R)-N-[(4-bromophenyl)methyl]-1-(4-fluorophenyl)ethanamine
CID 28622733
4-[[[(1S)-1-(4-bromophenyl)ethyl]amino]methyl]-2-methoxyphenol
CID 81353611
(1R)-1-(4-bromophenyl)-N-[(2,5-dimethylphenyl)methyl]ethanamine
CID 78921805
(1S)-N-[(4-bromophenyl)methyl]-1-phenylethanamine
CID 966918

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-[(3,4-dimethylphenyl)methyl]ethanamine?
The IUPAC name of 1-(4-bromophenyl)-N-[(3,4-dimethylphenyl)methyl]ethanamine (CID 60658197) is 1-(4-bromophenyl)-N-[(3,4-dimethylphenyl)methyl]ethanamine.
What is the SMILES notation for 1-(4-bromophenyl)-N-[(3,4-dimethylphenyl)methyl]ethanamine?
The canonical SMILES for 1-(4-bromophenyl)-N-[(3,4-dimethylphenyl)methyl]ethanamine is Cc1ccc(CNC(C)c2ccc(Br)cc2)cc1C.
What is the InChIKey of 1-(4-bromophenyl)-N-[(3,4-dimethylphenyl)methyl]ethanamine?
The InChIKey is RAFUNGFLUGPCJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrN/c1-12-4-5-15(10-13(12)2)11-19-14(3)16-6-8-17(18)9-7-16/h4-10,14,19H,11H2,1-3H3.
What are the key properties of 1-(4-bromophenyl)-N-[(3,4-dimethylphenyl)methyl]ethanamine?
1-(4-bromophenyl)-N-[(3,4-dimethylphenyl)methyl]ethanamine has a molecular weight of 318.26 g/mol, XLogP of 4.92, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-[(3,4-dimethylphenyl)methyl]ethanamine is sourced from PubChem (CID 60658197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).