1-(4-bromo-2-fluorophenyl)-2-(2,4,6-trimethylphenyl)ethanamine

C17H19BrFN — CID 114906230

IUPAC1-(4-bromo-2-fluorophenyl)-2-(2,4,6-trimethylphenyl)ethanamine
SMILESCc1cc(C)c(CC(N)c2ccc(Br)cc2F)c(C)c1
InChIInChI=1S/C17H19BrFN/c1-10-6-11(2)15(12(3)7-10)9-17(20)14-5-4-13(18)8-16(14)19/h4-8,17H,9,20H2,1-3H3
InChIKeyCQQSMRHQBJBTOO-UHFFFAOYSA-N
MW336.25 g/mol
LogP4.76
Rot. Bonds3

About 1-(4-bromo-2-fluorophenyl)-2-(2,4,6-trimethylphenyl)ethanamine

1-(4-bromo-2-fluorophenyl)-2-(2,4,6-trimethylphenyl)ethanamine (PubChem CID 114906230) has the molecular formula C17H19BrFN and a molecular weight of 336.25 g/mol. Its IUPAC name is 1-(4-bromo-2-fluorophenyl)-2-(2,4,6-trimethylphenyl)ethanamine.

Molecular Properties

Compound Name1-(4-bromo-2-fluorophenyl)-2-(2,4,6-trimethylphenyl)ethanamine
PubChem CID114906230
Molecular FormulaC17H19BrFN
Molecular Weight336.25 g/mol
Exact Mass335.07
IUPAC Name1-(4-bromo-2-fluorophenyl)-2-(2,4,6-trimethylphenyl)ethanamine
SMILESCc1cc(C)c(CC(N)c2ccc(Br)cc2F)c(C)c1
InChIInChI=1S/C17H19BrFN/c1-10-6-11(2)15(12(3)7-10)9-17(20)14-5-4-13(18)8-16(14)19/h4-8,17H,9,20H2,1-3H3
InChIKeyCQQSMRHQBJBTOO-UHFFFAOYSA-N
XLogP4.76
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.25
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(4-bromo-2-fluorophenyl)-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-bromo-2,6-difluorophenyl)-2-(2,4,6-trimethylphenyl)ethanamine
CID 115829272
1-(4-bromo-2-fluorophenyl)-2-(4-fluoro-2-methylphenyl)ethanamine
CID 114906223
2-(3-bromo-2,6-difluorophenyl)-1-(4-bromo-2-fluorophenyl)ethanamine
CID 106268783
1-(4-bromophenyl)-2-(2,4,6-trimethylphenyl)ethanamine
CID 55188112
(1S)-1-(4-bromo-2-fluorophenyl)butane-1,4-diamine
CID 171218948
1-(4-bromo-2-fluorophenyl)-2-(3-methyl-2-pyridinyl)ethanamine
CID 66446075
2-amino-2-(4-bromo-2-fluorophenyl)ethanol
CID 61056024
1-(4-bromo-2-fluorophenyl)-2-(2-fluorophenyl)ethanamine
CID 61078893
1-(4-bromo-2-fluorophenyl)-2-(4-propan-2-ylphenyl)ethanamine
CID 114906232
1-(4-bromo-2-fluorophenyl)-2-methoxyethanamine
CID 112693311
1-(4-bromo-2-fluorophenyl)-3-methylsulfonylpropan-1-amine
CID 114905996
1-(4-fluorophenyl)-2-(2,4,6-trimethylphenyl)ethanamine
CID 62549310

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-fluorophenyl)-2-(2,4,6-trimethylphenyl)ethanamine?
The IUPAC name of 1-(4-bromo-2-fluorophenyl)-2-(2,4,6-trimethylphenyl)ethanamine (CID 114906230) is 1-(4-bromo-2-fluorophenyl)-2-(2,4,6-trimethylphenyl)ethanamine.
What is the SMILES notation for 1-(4-bromo-2-fluorophenyl)-2-(2,4,6-trimethylphenyl)ethanamine?
The canonical SMILES for 1-(4-bromo-2-fluorophenyl)-2-(2,4,6-trimethylphenyl)ethanamine is Cc1cc(C)c(CC(N)c2ccc(Br)cc2F)c(C)c1.
What is the InChIKey of 1-(4-bromo-2-fluorophenyl)-2-(2,4,6-trimethylphenyl)ethanamine?
The InChIKey is CQQSMRHQBJBTOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrFN/c1-10-6-11(2)15(12(3)7-10)9-17(20)14-5-4-13(18)8-16(14)19/h4-8,17H,9,20H2,1-3H3.
What are the key properties of 1-(4-bromo-2-fluorophenyl)-2-(2,4,6-trimethylphenyl)ethanamine?
1-(4-bromo-2-fluorophenyl)-2-(2,4,6-trimethylphenyl)ethanamine has a molecular weight of 336.25 g/mol, XLogP of 4.76, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-fluorophenyl)-2-(2,4,6-trimethylphenyl)ethanamine is sourced from PubChem (CID 114906230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).