1-(4-bromophenyl)-3-(5-chloro-2-fluorophenyl)propan-2-amine

C15H14BrClFN — CID 103048411

IUPAC1-(4-bromophenyl)-3-(5-chloro-2-fluorophenyl)propan-2-amine
SMILESNC(Cc1ccc(Br)cc1)Cc1cc(Cl)ccc1F
InChIInChI=1S/C15H14BrClFN/c16-12-3-1-10(2-4-12)7-14(19)9-11-8-13(17)5-6-15(11)18/h1-6,8,14H,7,9,19H2
InChIKeyCWJPSZWNCCAJEK-UHFFFAOYSA-N
MW342.64 g/mol
LogP4.35
Rot. Bonds4

About 1-(4-bromophenyl)-3-(5-chloro-2-fluorophenyl)propan-2-amine

1-(4-bromophenyl)-3-(5-chloro-2-fluorophenyl)propan-2-amine (PubChem CID 103048411) has the molecular formula C15H14BrClFN and a molecular weight of 342.64 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-(5-chloro-2-fluorophenyl)propan-2-amine.

Molecular Properties

Compound Name1-(4-bromophenyl)-3-(5-chloro-2-fluorophenyl)propan-2-amine
PubChem CID103048411
Molecular FormulaC15H14BrClFN
Molecular Weight342.64 g/mol
Exact Mass341.00
IUPAC Name1-(4-bromophenyl)-3-(5-chloro-2-fluorophenyl)propan-2-amine
SMILESNC(Cc1ccc(Br)cc1)Cc1cc(Cl)ccc1F
InChIInChI=1S/C15H14BrClFN/c16-12-3-1-10(2-4-12)7-14(19)9-11-8-13(17)5-6-15(11)18/h1-6,8,14H,7,9,19H2
InChIKeyCWJPSZWNCCAJEK-UHFFFAOYSA-N
XLogP4.35
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.64
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(4-bromophenyl)-3-(5-chloro-2-fluorophenyl)propan-2-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

1-(5-chloro-2-fluorophenyl)-3-phenylpropan-2-amine
CID 114843607
[1-(4-bromophenyl)-3-(5-chloro-2-fluorophenyl)propan-2-yl]hydrazine
CID 103053500
1-(5-bromo-2-fluorophenyl)-3-(2,4-dichlorophenyl)propan-2-amine
CID 63412312
1-(4-bromophenyl)-3-(2-chlorophenyl)propan-2-amine
CID 60818442
1-(4-bromophenyl)-3-(3,4-dichlorophenyl)propan-2-amine
CID 63411923
2-(5-chloro-2-fluorophenyl)-1-(2,4-dibromophenyl)ethanamine
CID 107947077
1-(2,5-difluorophenyl)-3-(4-methylphenyl)propan-2-amine
CID 62329924
1-(5-bromo-2-fluorophenyl)-3-(2,6-difluorophenyl)propan-2-amine
CID 115839093
1-(5-bromo-2-fluorophenyl)-3-(4-chlorophenyl)propan-2-ol
CID 55096280
1-(4-chlorophenyl)-3-(4-fluoro-2-methylphenyl)propan-2-amine
CID 114347640
1-(5-bromo-2-fluorophenyl)-3-(2,3-difluorophenyl)propan-2-amine
CID 115839557
1-(5-chloro-2-nitrophenyl)-3-(4-fluorophenyl)propan-2-amine
CID 79556514

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-3-(5-chloro-2-fluorophenyl)propan-2-amine?
The IUPAC name of 1-(4-bromophenyl)-3-(5-chloro-2-fluorophenyl)propan-2-amine (CID 103048411) is 1-(4-bromophenyl)-3-(5-chloro-2-fluorophenyl)propan-2-amine.
What is the SMILES notation for 1-(4-bromophenyl)-3-(5-chloro-2-fluorophenyl)propan-2-amine?
The canonical SMILES for 1-(4-bromophenyl)-3-(5-chloro-2-fluorophenyl)propan-2-amine is NC(Cc1ccc(Br)cc1)Cc1cc(Cl)ccc1F.
What is the InChIKey of 1-(4-bromophenyl)-3-(5-chloro-2-fluorophenyl)propan-2-amine?
The InChIKey is CWJPSZWNCCAJEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClFN/c16-12-3-1-10(2-4-12)7-14(19)9-11-8-13(17)5-6-15(11)18/h1-6,8,14H,7,9,19H2.
What are the key properties of 1-(4-bromophenyl)-3-(5-chloro-2-fluorophenyl)propan-2-amine?
1-(4-bromophenyl)-3-(5-chloro-2-fluorophenyl)propan-2-amine has a molecular weight of 342.64 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-3-(5-chloro-2-fluorophenyl)propan-2-amine is sourced from PubChem (CID 103048411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).