(1S)-N-[(4-bromophenyl)methyl]-1-phenylethanamine

C15H16BrN — CID 966918

IUPAC(1S)-N-[(4-bromophenyl)methyl]-1-phenylethanamine
SMILESC[C@H](NCc1ccc(Br)cc1)c1ccccc1
InChIInChI=1S/C15H16BrN/c1-12(14-5-3-2-4-6-14)17-11-13-7-9-15(16)10-8-13/h2-10,12,17H,11H2,1H3/t12-/m0/s1
InChIKeyKLNKNATWEARTSH-LBPRGKRZSA-N
MW290.20 g/mol
LogP4.30
Rot. Bonds4

About (1S)-N-[(4-bromophenyl)methyl]-1-phenylethanamine

(1S)-N-[(4-bromophenyl)methyl]-1-phenylethanamine (PubChem CID 966918) has the molecular formula C15H16BrN and a molecular weight of 290.20 g/mol. Its IUPAC name is (1S)-N-[(4-bromophenyl)methyl]-1-phenylethanamine.

Molecular Properties

Compound Name(1S)-N-[(4-bromophenyl)methyl]-1-phenylethanamine
PubChem CID966918
Molecular FormulaC15H16BrN
Molecular Weight290.20 g/mol
Exact Mass289.05
IUPAC Name(1S)-N-[(4-bromophenyl)methyl]-1-phenylethanamine
SMILESC[C@H](NCc1ccc(Br)cc1)c1ccccc1
InChIInChI=1S/C15H16BrN/c1-12(14-5-3-2-4-6-14)17-11-13-7-9-15(16)10-8-13/h2-10,12,17H,11H2,1H3/t12-/m0/s1
InChIKeyKLNKNATWEARTSH-LBPRGKRZSA-N
XLogP4.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.20
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (1S)-N-[(4-bromophenyl)methyl]-1-phenylethanamine 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

(1S)-N-[(4-bromophenyl)methyl]-1-phenylethanamine;hydrochloride
CID 172883048
(1S)-N-benzyl-1-phenylethanamine;sulfane
CID 157387061
1-(4-bromophenyl)-N-[(4-ethylphenyl)methyl]ethanamine
CID 60658167
(1R)-N-[(4-bromophenyl)methyl]-1-(4-fluorophenyl)ethanamine
CID 28622733
N-[(4-methylphenyl)methyl]-1-phenylethanamine;hydrochloride
CID 15945718
N-[(4-fluorophenyl)methyl]-1-phenylethanamine
CID 2758971
N-[(3-bromophenyl)methyl]-1-phenylethanamine
CID 2756844
(1S)-N-[(3,4-dibromophenyl)methyl]-1-phenylethanamine
CID 114985822
4-[[[(1R)-1-(4-bromophenyl)ethyl]amino]methyl]benzoic acid
CID 81353874
4-[[[(1S)-1-(4-bromophenyl)ethyl]amino]methyl]benzoic acid
CID 81354918
(1S)-N-[(4-bromophenyl)methyl]-1-(3-chlorophenyl)ethanamine
CID 28649443
1-(4-bromophenyl)-N-[(4-methoxyphenyl)methyl]ethanamine
CID 43178104

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[(4-bromophenyl)methyl]-1-phenylethanamine?
The IUPAC name of (1S)-N-[(4-bromophenyl)methyl]-1-phenylethanamine (CID 966918) is (1S)-N-[(4-bromophenyl)methyl]-1-phenylethanamine.
What is the SMILES notation for (1S)-N-[(4-bromophenyl)methyl]-1-phenylethanamine?
The canonical SMILES for (1S)-N-[(4-bromophenyl)methyl]-1-phenylethanamine is C[C@H](NCc1ccc(Br)cc1)c1ccccc1.
What is the InChIKey of (1S)-N-[(4-bromophenyl)methyl]-1-phenylethanamine?
The InChIKey is KLNKNATWEARTSH-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H16BrN/c1-12(14-5-3-2-4-6-14)17-11-13-7-9-15(16)10-8-13/h2-10,12,17H,11H2,1H3/t12-/m0/s1.
What are the key properties of (1S)-N-[(4-bromophenyl)methyl]-1-phenylethanamine?
(1S)-N-[(4-bromophenyl)methyl]-1-phenylethanamine has a molecular weight of 290.20 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[(4-bromophenyl)methyl]-1-phenylethanamine is sourced from PubChem (CID 966918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).