2-(4-bromophenyl)-3-(4-fluorophenyl)propan-1-amine

C15H15BrFN — CID 79441901

IUPAC2-(4-bromophenyl)-3-(4-fluorophenyl)propan-1-amine
SMILESNCC(Cc1ccc(F)cc1)c1ccc(Br)cc1
InChIInChI=1S/C15H15BrFN/c16-14-5-3-12(4-6-14)13(10-18)9-11-1-7-15(17)8-2-11/h1-8,13H,9-10,18H2
InChIKeyPBNNFMAMUMDDKB-UHFFFAOYSA-N
MW308.19 g/mol
LogP3.87
Rot. Bonds4

About 2-(4-bromophenyl)-3-(4-fluorophenyl)propan-1-amine

2-(4-bromophenyl)-3-(4-fluorophenyl)propan-1-amine (PubChem CID 79441901) has the molecular formula C15H15BrFN and a molecular weight of 308.19 g/mol. Its IUPAC name is 2-(4-bromophenyl)-3-(4-fluorophenyl)propan-1-amine.

Molecular Properties

Compound Name2-(4-bromophenyl)-3-(4-fluorophenyl)propan-1-amine
PubChem CID79441901
Molecular FormulaC15H15BrFN
Molecular Weight308.19 g/mol
Exact Mass307.04
IUPAC Name2-(4-bromophenyl)-3-(4-fluorophenyl)propan-1-amine
SMILESNCC(Cc1ccc(F)cc1)c1ccc(Br)cc1
InChIInChI=1S/C15H15BrFN/c16-14-5-3-12(4-6-14)13(10-18)9-11-1-7-15(17)8-2-11/h1-8,13H,9-10,18H2
InChIKeyPBNNFMAMUMDDKB-UHFFFAOYSA-N
XLogP3.87
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.19
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-(4-bromophenyl)-3-(4-fluorophenyl)propan-1-amine 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

3-(4-bromophenyl)-2-(4-fluorophenyl)propan-1-ol
CID 79438156
2-(4-bromophenyl)-3-(4-methylphenyl)propan-1-amine
CID 79442413
3-(4-bromophenyl)-2-phenylpropan-1-amine
CID 65429656
3-(3-bromo-4-fluorophenyl)-2-(4-fluorophenyl)propan-1-amine
CID 79441426
2-(4-bromophenyl)-3-(4-fluorophenyl)-N-methylpropan-1-amine
CID 79442314
4-[1-amino-3-(4-fluorophenyl)propan-2-yl]-N,N-dimethylaniline
CID 82139525
3-(3,4-difluorophenyl)-2-(4-fluorophenyl)propan-1-amine
CID 82930179
1-bromo-4-[1-fluoro-2-(4-fluorophenyl)ethyl]benzene
CID 154714701
1-[1-bromo-3-(4-fluorophenyl)propan-2-yl]-4-fluorobenzene
CID 79435525
3-(3-fluorophenyl)-2-(4-fluorophenyl)propan-1-amine
CID 15014589
3-(2-bromophenyl)-2-(4-fluorophenyl)propan-1-amine
CID 79442108
1-bromo-4-[1-(4-bromophenyl)-3-chloropropan-2-yl]benzene
CID 79435566

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-3-(4-fluorophenyl)propan-1-amine?
The IUPAC name of 2-(4-bromophenyl)-3-(4-fluorophenyl)propan-1-amine (CID 79441901) is 2-(4-bromophenyl)-3-(4-fluorophenyl)propan-1-amine.
What is the SMILES notation for 2-(4-bromophenyl)-3-(4-fluorophenyl)propan-1-amine?
The canonical SMILES for 2-(4-bromophenyl)-3-(4-fluorophenyl)propan-1-amine is NCC(Cc1ccc(F)cc1)c1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)-3-(4-fluorophenyl)propan-1-amine?
The InChIKey is PBNNFMAMUMDDKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFN/c16-14-5-3-12(4-6-14)13(10-18)9-11-1-7-15(17)8-2-11/h1-8,13H,9-10,18H2.
What are the key properties of 2-(4-bromophenyl)-3-(4-fluorophenyl)propan-1-amine?
2-(4-bromophenyl)-3-(4-fluorophenyl)propan-1-amine has a molecular weight of 308.19 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-3-(4-fluorophenyl)propan-1-amine is sourced from PubChem (CID 79441901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).