1-(4-bromophenyl)-2-(2,4,6-trimethylphenyl)ethanamine

C17H20BrN — CID 55188112

IUPAC1-(4-bromophenyl)-2-(2,4,6-trimethylphenyl)ethanamine
SMILESCc1cc(C)c(CC(N)c2ccc(Br)cc2)c(C)c1
InChIInChI=1S/C17H20BrN/c1-11-8-12(2)16(13(3)9-11)10-17(19)14-4-6-15(18)7-5-14/h4-9,17H,10,19H2,1-3H3
InChIKeyMUWYDGPMEKJCOO-UHFFFAOYSA-N
MW318.26 g/mol
LogP4.62
Rot. Bonds3

About 1-(4-bromophenyl)-2-(2,4,6-trimethylphenyl)ethanamine

1-(4-bromophenyl)-2-(2,4,6-trimethylphenyl)ethanamine (PubChem CID 55188112) has the molecular formula C17H20BrN and a molecular weight of 318.26 g/mol. Its IUPAC name is 1-(4-bromophenyl)-2-(2,4,6-trimethylphenyl)ethanamine.

Molecular Properties

Compound Name1-(4-bromophenyl)-2-(2,4,6-trimethylphenyl)ethanamine
PubChem CID55188112
Molecular FormulaC17H20BrN
Molecular Weight318.26 g/mol
Exact Mass317.08
IUPAC Name1-(4-bromophenyl)-2-(2,4,6-trimethylphenyl)ethanamine
SMILESCc1cc(C)c(CC(N)c2ccc(Br)cc2)c(C)c1
InChIInChI=1S/C17H20BrN/c1-11-8-12(2)16(13(3)9-11)10-17(19)14-4-6-15(18)7-5-14/h4-9,17H,10,19H2,1-3H3
InChIKeyMUWYDGPMEKJCOO-UHFFFAOYSA-N
XLogP4.62
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.26
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(4-bromophenyl)-2-(2,4,6-trimethylphenyl)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

1-(4-fluorophenyl)-2-(2,4,6-trimethylphenyl)ethanamine
CID 62549310
1-pyridin-4-yl-2-(2,4,6-trimethylphenyl)ethanamine
CID 62549860
1-(4-chloro-3-methylphenyl)-2-(2,4,6-trimethylphenyl)ethanamine
CID 115828896
1-(4-bromo-2-fluorophenyl)-2-(2,4,6-trimethylphenyl)ethanamine
CID 114906230
2-(4-bromophenyl)-1-(4-methylphenyl)ethanamine
CID 24697978
1-(4-bromo-2,6-difluorophenyl)-2-(2,4,6-trimethylphenyl)ethanamine
CID 115829272
1-(4-bromophenyl)sulfanyl-3-(2,4,6-trimethylphenyl)propan-2-ol
CID 66056671
1-(3-bromo-4-methylphenyl)-2-(4-bromophenyl)ethanamine
CID 81471892
(1S)-1-(4-bromophenyl)hexan-1-amine
CID 28979678
(1R)-1-(4-bromophenyl)hexan-1-amine
CID 28979676
2-(4-tert-butyl-2,6-dimethylphenyl)-1-phenylethanamine
CID 60818981
2-[2-[(4-bromophenyl)methyl]-3-chloropropyl]-1,3,5-trimethylbenzene
CID 66036170

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-2-(2,4,6-trimethylphenyl)ethanamine?
The IUPAC name of 1-(4-bromophenyl)-2-(2,4,6-trimethylphenyl)ethanamine (CID 55188112) is 1-(4-bromophenyl)-2-(2,4,6-trimethylphenyl)ethanamine.
What is the SMILES notation for 1-(4-bromophenyl)-2-(2,4,6-trimethylphenyl)ethanamine?
The canonical SMILES for 1-(4-bromophenyl)-2-(2,4,6-trimethylphenyl)ethanamine is Cc1cc(C)c(CC(N)c2ccc(Br)cc2)c(C)c1.
What is the InChIKey of 1-(4-bromophenyl)-2-(2,4,6-trimethylphenyl)ethanamine?
The InChIKey is MUWYDGPMEKJCOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrN/c1-11-8-12(2)16(13(3)9-11)10-17(19)14-4-6-15(18)7-5-14/h4-9,17H,10,19H2,1-3H3.
What are the key properties of 1-(4-bromophenyl)-2-(2,4,6-trimethylphenyl)ethanamine?
1-(4-bromophenyl)-2-(2,4,6-trimethylphenyl)ethanamine has a molecular weight of 318.26 g/mol, XLogP of 4.62, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-2-(2,4,6-trimethylphenyl)ethanamine is sourced from PubChem (CID 55188112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).