1-(4-bromophenyl)-N-[(4-ethylphenyl)methyl]ethanamine

C17H20BrN — CID 60658167

IUPAC1-(4-bromophenyl)-N-[(4-ethylphenyl)methyl]ethanamine
SMILESCCc1ccc(CNC(C)c2ccc(Br)cc2)cc1
InChIInChI=1S/C17H20BrN/c1-3-14-4-6-15(7-5-14)12-19-13(2)16-8-10-17(18)11-9-16/h4-11,13,19H,3,12H2,1-2H3
InChIKeyYFZUROCPGCVWAI-UHFFFAOYSA-N
MW318.26 g/mol
LogP4.86
Rot. Bonds5

About 1-(4-bromophenyl)-N-[(4-ethylphenyl)methyl]ethanamine

1-(4-bromophenyl)-N-[(4-ethylphenyl)methyl]ethanamine (PubChem CID 60658167) has the molecular formula C17H20BrN and a molecular weight of 318.26 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-[(4-ethylphenyl)methyl]ethanamine.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-[(4-ethylphenyl)methyl]ethanamine
PubChem CID60658167
Molecular FormulaC17H20BrN
Molecular Weight318.26 g/mol
Exact Mass317.08
IUPAC Name1-(4-bromophenyl)-N-[(4-ethylphenyl)methyl]ethanamine
SMILESCCc1ccc(CNC(C)c2ccc(Br)cc2)cc1
InChIInChI=1S/C17H20BrN/c1-3-14-4-6-15(7-5-14)12-19-13(2)16-8-10-17(18)11-9-16/h4-11,13,19H,3,12H2,1-2H3
InChIKeyYFZUROCPGCVWAI-UHFFFAOYSA-N
XLogP4.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.26
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(4-bromophenyl)-N-[(4-ethylphenyl)methyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R)-N-[(4-bromophenyl)methyl]-1-(4-fluorophenyl)ethanamine
CID 28622733
(1R)-N-[(4-ethylphenyl)methyl]-1-(4-methylphenyl)ethanamine
CID 81350057
(1S)-N-[(4-bromophenyl)methyl]-1-phenylethanamine
CID 966918
(1S)-N-[(4-bromophenyl)methyl]-1-phenylethanamine;hydrochloride
CID 172883048
N-[(4-ethylphenyl)methyl]-1-(4-fluorophenyl)ethanamine
CID 43078764
N-[(4-ethylphenyl)methyl]-1-(4-propylphenyl)ethanamine
CID 106899436
1-(4-bromophenyl)-N-[(4-methoxyphenyl)methyl]ethanamine
CID 43178104
N-[(3-bromo-5-fluorophenyl)methyl]-1-(4-ethylphenyl)ethanamine
CID 79710098
methyl 4-[[[(1S)-1-(4-bromophenyl)ethyl]amino]methyl]benzoate
CID 81356687
4-[[[(1S)-1-(4-bromophenyl)ethyl]amino]methyl]benzoic acid
CID 81354918
4-[[[(1R)-1-(4-bromophenyl)ethyl]amino]methyl]benzoic acid
CID 81353874
N-[(4-bromo-2-fluorophenyl)methyl]-1-(4-ethylphenyl)ethanamine
CID 43221510

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-[(4-ethylphenyl)methyl]ethanamine?
The IUPAC name of 1-(4-bromophenyl)-N-[(4-ethylphenyl)methyl]ethanamine (CID 60658167) is 1-(4-bromophenyl)-N-[(4-ethylphenyl)methyl]ethanamine.
What is the SMILES notation for 1-(4-bromophenyl)-N-[(4-ethylphenyl)methyl]ethanamine?
The canonical SMILES for 1-(4-bromophenyl)-N-[(4-ethylphenyl)methyl]ethanamine is CCc1ccc(CNC(C)c2ccc(Br)cc2)cc1.
What is the InChIKey of 1-(4-bromophenyl)-N-[(4-ethylphenyl)methyl]ethanamine?
The InChIKey is YFZUROCPGCVWAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrN/c1-3-14-4-6-15(7-5-14)12-19-13(2)16-8-10-17(18)11-9-16/h4-11,13,19H,3,12H2,1-2H3.
What are the key properties of 1-(4-bromophenyl)-N-[(4-ethylphenyl)methyl]ethanamine?
1-(4-bromophenyl)-N-[(4-ethylphenyl)methyl]ethanamine has a molecular weight of 318.26 g/mol, XLogP of 4.86, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-[(4-ethylphenyl)methyl]ethanamine is sourced from PubChem (CID 60658167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).