1-(4-bromo-2-fluorophenyl)-2-(4-propan-2-ylphenyl)ethanamine

C17H19BrFN — CID 114906232

IUPAC1-(4-bromo-2-fluorophenyl)-2-(4-propan-2-ylphenyl)ethanamine
SMILESCC(C)c1ccc(CC(N)c2ccc(Br)cc2F)cc1
InChIInChI=1S/C17H19BrFN/c1-11(2)13-5-3-12(4-6-13)9-17(20)15-8-7-14(18)10-16(15)19/h3-8,10-11,17H,9,20H2,1-2H3
InChIKeyAJEKZNIYGPVPPR-UHFFFAOYSA-N
MW336.25 g/mol
LogP4.95
Rot. Bonds4

About 1-(4-bromo-2-fluorophenyl)-2-(4-propan-2-ylphenyl)ethanamine

1-(4-bromo-2-fluorophenyl)-2-(4-propan-2-ylphenyl)ethanamine (PubChem CID 114906232) has the molecular formula C17H19BrFN and a molecular weight of 336.25 g/mol. Its IUPAC name is 1-(4-bromo-2-fluorophenyl)-2-(4-propan-2-ylphenyl)ethanamine.

Molecular Properties

Compound Name1-(4-bromo-2-fluorophenyl)-2-(4-propan-2-ylphenyl)ethanamine
PubChem CID114906232
Molecular FormulaC17H19BrFN
Molecular Weight336.25 g/mol
Exact Mass335.07
IUPAC Name1-(4-bromo-2-fluorophenyl)-2-(4-propan-2-ylphenyl)ethanamine
SMILESCC(C)c1ccc(CC(N)c2ccc(Br)cc2F)cc1
InChIInChI=1S/C17H19BrFN/c1-11(2)13-5-3-12(4-6-13)9-17(20)15-8-7-14(18)10-16(15)19/h3-8,10-11,17H,9,20H2,1-2H3
InChIKeyAJEKZNIYGPVPPR-UHFFFAOYSA-N
XLogP4.95
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.25
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(4-bromo-2-fluorophenyl)-2-(4-propan-2-ylphenyl)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-(2,5-dibromophenyl)-2-(4-propan-2-ylphenyl)ethanamine
CID 115844387
1-(4-bromo-2-fluorophenyl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine
CID 114906488
1-(4-bromo-2-fluorophenyl)-2-(3,4-dimethoxyphenyl)ethanamine
CID 61078831
2-(4-bromophenyl)-1-(2-fluoro-4-methoxyphenyl)ethanamine
CID 43561233
1-(2-chloro-4-fluorophenyl)-2-(4-propan-2-ylphenyl)ethanamine
CID 63419710
1-(5-bromo-2-fluorophenyl)-2-(4-propan-2-ylphenyl)ethanol
CID 65148286
2-(4-bromophenyl)-1-(4-fluoro-3-methylphenyl)ethanamine
CID 55026181
2-amino-2-(4-bromo-2-fluorophenyl)ethanol
CID 61056024
1-(4-bromo-2-fluorophenyl)-2-(2,4,6-trimethylphenyl)ethanamine
CID 114906230
4-bromo-2-fluoro-1-propan-2-ylbenzene
CID 21051092
1-(4-bromo-3-methylphenyl)-2-(4-propan-2-ylphenyl)ethanamine
CID 115844346
1-(4-bromo-2-fluorophenyl)-2-(2-fluorophenyl)ethanamine
CID 61078893

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-fluorophenyl)-2-(4-propan-2-ylphenyl)ethanamine?
The IUPAC name of 1-(4-bromo-2-fluorophenyl)-2-(4-propan-2-ylphenyl)ethanamine (CID 114906232) is 1-(4-bromo-2-fluorophenyl)-2-(4-propan-2-ylphenyl)ethanamine.
What is the SMILES notation for 1-(4-bromo-2-fluorophenyl)-2-(4-propan-2-ylphenyl)ethanamine?
The canonical SMILES for 1-(4-bromo-2-fluorophenyl)-2-(4-propan-2-ylphenyl)ethanamine is CC(C)c1ccc(CC(N)c2ccc(Br)cc2F)cc1.
What is the InChIKey of 1-(4-bromo-2-fluorophenyl)-2-(4-propan-2-ylphenyl)ethanamine?
The InChIKey is AJEKZNIYGPVPPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrFN/c1-11(2)13-5-3-12(4-6-13)9-17(20)15-8-7-14(18)10-16(15)19/h3-8,10-11,17H,9,20H2,1-2H3.
What are the key properties of 1-(4-bromo-2-fluorophenyl)-2-(4-propan-2-ylphenyl)ethanamine?
1-(4-bromo-2-fluorophenyl)-2-(4-propan-2-ylphenyl)ethanamine has a molecular weight of 336.25 g/mol, XLogP of 4.95, 4 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-(4-propan-2-ylphenyl)ethanamine is sourced from PubChem (CID 114906232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).