2-(4-chlorophenyl)-3-(2,4-difluorophenyl)propan-1-amine

C15H14ClF2N — CID 79442407

IUPAC2-(4-chlorophenyl)-3-(2,4-difluorophenyl)propan-1-amine
SMILESNCC(Cc1ccc(F)cc1F)c1ccc(Cl)cc1
InChIInChI=1S/C15H14ClF2N/c16-13-4-1-10(2-5-13)12(9-19)7-11-3-6-14(17)8-15(11)18/h1-6,8,12H,7,9,19H2
InChIKeyVOMXFSHMEPSSLD-UHFFFAOYSA-N
MW281.73 g/mol
LogP3.90
Rot. Bonds4

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

2-(4-chlorophenyl)-3-(2,4-difluorophenyl)propan-1-amine (PubChem CID 79442407) has the molecular formula C15H14ClF2N and a molecular weight of 281.73 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-3-(2,4-difluorophenyl)propan-1-amine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-3-(2,4-difluorophenyl)propan-1-amine
PubChem CID79442407
Molecular FormulaC15H14ClF2N
Molecular Weight281.73 g/mol
Exact Mass281.08
IUPAC Name2-(4-chlorophenyl)-3-(2,4-difluorophenyl)propan-1-amine
SMILESNCC(Cc1ccc(F)cc1F)c1ccc(Cl)cc1
InChIInChI=1S/C15H14ClF2N/c16-13-4-1-10(2-5-13)12(9-19)7-11-3-6-14(17)8-15(11)18/h1-6,8,12H,7,9,19H2
InChIKeyVOMXFSHMEPSSLD-UHFFFAOYSA-N
XLogP3.90
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.73
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-(4-chlorophenyl)-3-(2,4-difluorophenyl)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

2-(4-chlorophenyl)-3-(2,5-difluorophenyl)propan-1-amine
CID 79441820
2-(4-chlorophenyl)-3-(4-fluoro-2-methylphenyl)propan-1-amine
CID 114348931
3-(4-chloro-2-fluorophenyl)-2-(3-fluorophenyl)propan-1-amine
CID 114858839
3-(2-chloro-5-fluorophenyl)-2-(4-methylphenyl)propan-1-amine
CID 102619951
1-[3-bromo-2-(4-chlorophenyl)propyl]-4-chloro-2-fluorobenzene
CID 114862057
3-(2-chloro-4-fluorophenyl)-2-(3-chlorophenyl)propan-1-amine
CID 79443118
3-(5-fluoro-2-methylphenyl)-2-(4-fluorophenyl)propan-1-amine
CID 105374999
3-(2,4-difluorophenyl)-2-(2-methylphenyl)propan-1-amine
CID 79421165
1-(4-chlorophenyl)sulfanyl-3-(2,4-difluorophenyl)propan-2-amine
CID 66145347
3-(3,4-difluorophenyl)-2-(4-fluorophenyl)propan-1-amine
CID 82930179
2-(4-chlorophenyl)-3-(2,5-difluorophenyl)-N-methylpropan-1-amine
CID 79441418
1,3-bis(2,4-difluorophenyl)propan-2-amine
CID 64561196

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-3-(2,4-difluorophenyl)propan-1-amine?
The IUPAC name of 2-(4-chlorophenyl)-3-(2,4-difluorophenyl)propan-1-amine (CID 79442407) is 2-(4-chlorophenyl)-3-(2,4-difluorophenyl)propan-1-amine.
What is the SMILES notation for 2-(4-chlorophenyl)-3-(2,4-difluorophenyl)propan-1-amine?
The canonical SMILES for 2-(4-chlorophenyl)-3-(2,4-difluorophenyl)propan-1-amine is NCC(Cc1ccc(F)cc1F)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-3-(2,4-difluorophenyl)propan-1-amine?
The InChIKey is VOMXFSHMEPSSLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClF2N/c16-13-4-1-10(2-5-13)12(9-19)7-11-3-6-14(17)8-15(11)18/h1-6,8,12H,7,9,19H2.
What are the key properties of 2-(4-chlorophenyl)-3-(2,4-difluorophenyl)propan-1-amine?
2-(4-chlorophenyl)-3-(2,4-difluorophenyl)propan-1-amine has a molecular weight of 281.73 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-3-(2,4-difluorophenyl)propan-1-amine is sourced from PubChem (CID 79442407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).