1-(3-chlorophenyl)-N-[1-(2,4-difluorophenyl)ethyl]propan-2-amine

C17H18ClF2N — CID 43694819

IUPAC1-(3-chlorophenyl)-N-[1-(2,4-difluorophenyl)ethyl]propan-2-amine
SMILESCC(Cc1cccc(Cl)c1)NC(C)c1ccc(F)cc1F
InChIInChI=1S/C17H18ClF2N/c1-11(8-13-4-3-5-14(18)9-13)21-12(2)16-7-6-15(19)10-17(16)20/h3-7,9-12,21H,8H2,1-2H3
InChIKeyFKAWYUZPRCKJNH-UHFFFAOYSA-N
MW309.79 g/mol
LogP4.90
Rot. Bonds5

About 1-(3-chlorophenyl)-N-[1-(2,4-difluorophenyl)ethyl]propan-2-amine

1-(3-chlorophenyl)-N-[1-(2,4-difluorophenyl)ethyl]propan-2-amine (PubChem CID 43694819) has the molecular formula C17H18ClF2N and a molecular weight of 309.79 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-[1-(2,4-difluorophenyl)ethyl]propan-2-amine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-[1-(2,4-difluorophenyl)ethyl]propan-2-amine
PubChem CID43694819
Molecular FormulaC17H18ClF2N
Molecular Weight309.79 g/mol
Exact Mass309.11
IUPAC Name1-(3-chlorophenyl)-N-[1-(2,4-difluorophenyl)ethyl]propan-2-amine
SMILESCC(Cc1cccc(Cl)c1)NC(C)c1ccc(F)cc1F
InChIInChI=1S/C17H18ClF2N/c1-11(8-13-4-3-5-14(18)9-13)21-12(2)16-7-6-15(19)10-17(16)20/h3-7,9-12,21H,8H2,1-2H3
InChIKeyFKAWYUZPRCKJNH-UHFFFAOYSA-N
XLogP4.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.79
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(3-chlorophenyl)-N-[1-(2,4-difluorophenyl)ethyl]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

N-[1-(3-chlorophenyl)ethyl]-1-(3-fluorophenyl)propan-2-amine
CID 114828300
1-(3-chlorophenyl)-N-[1-(5-fluoro-2-pyridinyl)ethyl]propan-2-amine
CID 83118328
1-(3-chlorophenyl)-N-[1-(2-methylphenyl)ethyl]propan-2-amine
CID 43694861
1-(3-chlorophenyl)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]propan-2-amine
CID 43694717
1-(2,4-difluorophenyl)-N-[1-(2,4-difluorophenyl)ethyl]ethanamine
CID 43680818
N-[1-(3-chlorophenyl)propan-2-yl]-4-methylpentan-2-amine
CID 43694863
N-[(1R)-1-(3-chlorophenyl)ethyl]-1-phenylpropan-2-amine
CID 81366808
1-(3-fluorophenyl)-N-[(1S)-1-(4-fluorophenyl)ethyl]propan-2-amine
CID 104979722
1-(4-chlorophenyl)-N-[1-(2-fluorophenyl)ethyl]propan-2-amine
CID 43677712
1-(3-chlorophenyl)-N-[1-(4-iodophenyl)ethyl]propan-2-amine
CID 43783490
(2S)-2-[1-(3-chlorophenyl)propan-2-ylamino]propanoic acid
CID 122038931
1-(3-chlorophenyl)-N-[1-(3-chlorophenyl)propan-2-yl]propan-1-amine
CID 43694879

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-[1-(2,4-difluorophenyl)ethyl]propan-2-amine?
The IUPAC name of 1-(3-chlorophenyl)-N-[1-(2,4-difluorophenyl)ethyl]propan-2-amine (CID 43694819) is 1-(3-chlorophenyl)-N-[1-(2,4-difluorophenyl)ethyl]propan-2-amine.
What is the SMILES notation for 1-(3-chlorophenyl)-N-[1-(2,4-difluorophenyl)ethyl]propan-2-amine?
The canonical SMILES for 1-(3-chlorophenyl)-N-[1-(2,4-difluorophenyl)ethyl]propan-2-amine is CC(Cc1cccc(Cl)c1)NC(C)c1ccc(F)cc1F.
What is the InChIKey of 1-(3-chlorophenyl)-N-[1-(2,4-difluorophenyl)ethyl]propan-2-amine?
The InChIKey is FKAWYUZPRCKJNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClF2N/c1-11(8-13-4-3-5-14(18)9-13)21-12(2)16-7-6-15(19)10-17(16)20/h3-7,9-12,21H,8H2,1-2H3.
What are the key properties of 1-(3-chlorophenyl)-N-[1-(2,4-difluorophenyl)ethyl]propan-2-amine?
1-(3-chlorophenyl)-N-[1-(2,4-difluorophenyl)ethyl]propan-2-amine has a molecular weight of 309.79 g/mol, XLogP of 4.90, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-[1-(2,4-difluorophenyl)ethyl]propan-2-amine is sourced from PubChem (CID 43694819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).