1-(2-chloro-3-fluorophenyl)-3-(3,4-difluorophenyl)propan-2-amine

C15H13ClF3N — CID 105032555

IUPAC1-(2-chloro-3-fluorophenyl)-3-(3,4-difluorophenyl)propan-2-amine
SMILESNC(Cc1ccc(F)c(F)c1)Cc1cccc(F)c1Cl
InChIInChI=1S/C15H13ClF3N/c16-15-10(2-1-3-13(15)18)8-11(20)6-9-4-5-12(17)14(19)7-9/h1-5,7,11H,6,8,20H2
InChIKeyPBQWBGJILWSEEG-UHFFFAOYSA-N
MW299.72 g/mol
LogP3.87
Rot. Bonds4

About 1-(2-chloro-3-fluorophenyl)-3-(3,4-difluorophenyl)propan-2-amine

1-(2-chloro-3-fluorophenyl)-3-(3,4-difluorophenyl)propan-2-amine (PubChem CID 105032555) has the molecular formula C15H13ClF3N and a molecular weight of 299.72 g/mol. Its IUPAC name is 1-(2-chloro-3-fluorophenyl)-3-(3,4-difluorophenyl)propan-2-amine.

Molecular Properties

Compound Name1-(2-chloro-3-fluorophenyl)-3-(3,4-difluorophenyl)propan-2-amine
PubChem CID105032555
Molecular FormulaC15H13ClF3N
Molecular Weight299.72 g/mol
Exact Mass299.07
IUPAC Name1-(2-chloro-3-fluorophenyl)-3-(3,4-difluorophenyl)propan-2-amine
SMILESNC(Cc1ccc(F)c(F)c1)Cc1cccc(F)c1Cl
InChIInChI=1S/C15H13ClF3N/c16-15-10(2-1-3-13(15)18)8-11(20)6-9-4-5-12(17)14(19)7-9/h1-5,7,11H,6,8,20H2
InChIKeyPBQWBGJILWSEEG-UHFFFAOYSA-N
XLogP3.87
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.72
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(2-chloro-3-fluorophenyl)-3-(3,4-difluorophenyl)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-(2-chloro-3-fluorophenyl)-3-(3,5-dimethylphenyl)propan-2-amine
CID 115983731
1-(4-chlorophenyl)-3-(2,3-difluorophenyl)propan-2-amine
CID 62601232
1-(2-chloro-3-fluorophenyl)-4-phenylbutan-2-amine
CID 112653635
1-(3,4-difluorophenyl)-3-(2,5-dimethylphenyl)propan-2-amine
CID 115802634
1-(2,3-dichlorophenyl)-3-(2,3-difluorophenyl)propan-2-amine
CID 107311717
1-[1-bromo-2-(3,4-difluorophenyl)ethyl]-2-chloro-3-fluorobenzene
CID 81461470
1-(3,4-difluorophenyl)-3-(4-fluoro-2-methylphenyl)propan-2-amine
CID 105051169
1-(4-chlorophenyl)-3-(2,6-difluorophenyl)propan-2-amine
CID 114931762
1-(3-chlorophenyl)-3-(2,6-difluorophenyl)propan-2-amine
CID 114931754
1-(2-bromo-4-fluorophenyl)-3-(3,4-difluorophenyl)propan-2-amine
CID 115843232
1-(2-chloro-3-fluorophenyl)octan-2-amine
CID 105032513
1-(2-chloro-3-fluorophenyl)nonan-2-amine
CID 105032502

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-3-fluorophenyl)-3-(3,4-difluorophenyl)propan-2-amine?
The IUPAC name of 1-(2-chloro-3-fluorophenyl)-3-(3,4-difluorophenyl)propan-2-amine (CID 105032555) is 1-(2-chloro-3-fluorophenyl)-3-(3,4-difluorophenyl)propan-2-amine.
What is the SMILES notation for 1-(2-chloro-3-fluorophenyl)-3-(3,4-difluorophenyl)propan-2-amine?
The canonical SMILES for 1-(2-chloro-3-fluorophenyl)-3-(3,4-difluorophenyl)propan-2-amine is NC(Cc1ccc(F)c(F)c1)Cc1cccc(F)c1Cl.
What is the InChIKey of 1-(2-chloro-3-fluorophenyl)-3-(3,4-difluorophenyl)propan-2-amine?
The InChIKey is PBQWBGJILWSEEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF3N/c16-15-10(2-1-3-13(15)18)8-11(20)6-9-4-5-12(17)14(19)7-9/h1-5,7,11H,6,8,20H2.
What are the key properties of 1-(2-chloro-3-fluorophenyl)-3-(3,4-difluorophenyl)propan-2-amine?
1-(2-chloro-3-fluorophenyl)-3-(3,4-difluorophenyl)propan-2-amine has a molecular weight of 299.72 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 1-(2-chloro-3-fluorophenyl)-3-(3,4-difluorophenyl)propan-2-amine is sourced from PubChem (CID 105032555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).