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

C17H18F3N — CID 79432828

IUPAC3-(2,3-difluorophenyl)-N-ethyl-2-(4-fluorophenyl)propan-1-amine
SMILESCCNCC(Cc1cccc(F)c1F)c1ccc(F)cc1
InChIInChI=1S/C17H18F3N/c1-2-21-11-14(12-6-8-15(18)9-7-12)10-13-4-3-5-16(19)17(13)20/h3-9,14,21H,2,10-11H2,1H3
InChIKeyBXOFHSONNQGDIV-UHFFFAOYSA-N
MW293.33 g/mol
LogP4.04
Rot. Bonds6

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

3-(2,3-difluorophenyl)-N-ethyl-2-(4-fluorophenyl)propan-1-amine (PubChem CID 79432828) has the molecular formula C17H18F3N and a molecular weight of 293.33 g/mol. Its IUPAC name is 3-(2,3-difluorophenyl)-N-ethyl-2-(4-fluorophenyl)propan-1-amine.

Molecular Properties

Compound Name3-(2,3-difluorophenyl)-N-ethyl-2-(4-fluorophenyl)propan-1-amine
PubChem CID79432828
Molecular FormulaC17H18F3N
Molecular Weight293.33 g/mol
Exact Mass293.14
IUPAC Name3-(2,3-difluorophenyl)-N-ethyl-2-(4-fluorophenyl)propan-1-amine
SMILESCCNCC(Cc1cccc(F)c1F)c1ccc(F)cc1
InChIInChI=1S/C17H18F3N/c1-2-21-11-14(12-6-8-15(18)9-7-12)10-13-4-3-5-16(19)17(13)20/h3-9,14,21H,2,10-11H2,1H3
InChIKeyBXOFHSONNQGDIV-UHFFFAOYSA-N
XLogP4.04
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-(2,3-difluorophenyl)-N-ethyl-2-(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-(3-chloro-2-fluorophenyl)-N-ethyl-2-(4-fluorophenyl)propan-1-amine
CID 102859054
2-[(2,3-difluorophenyl)methyl]-N-ethyl-3-methylbutan-1-amine
CID 62528560
2-(4-chlorophenyl)-3-(2,6-difluorophenyl)-N-ethylpropan-1-amine
CID 114933720
3-(2,4-difluorophenyl)-N-ethyl-2-(4-methylphenyl)propan-1-amine
CID 79430105
3-(2,6-difluorophenyl)-2-(4-fluorophenyl)-N-methylpropan-1-amine
CID 114933725
N-ethyl-3-(2-fluorophenyl)-2-(3-methylphenyl)propan-1-amine
CID 79417898
3-(3-chlorophenyl)-N-ethyl-2-(4-fluorophenyl)propan-1-amine
CID 79441774
3-(2,3-difluorophenyl)-2-(2-fluorophenyl)-N-methylpropan-1-amine
CID 79439526
N-ethyl-3-(4-fluorophenyl)-2-(4-methylphenyl)propan-1-amine
CID 79436688
N-ethyl-2-(4-fluorophenyl)-3-(4-methylphenyl)propan-1-amine
CID 79442006
1-fluoro-2-[2-(4-fluorophenyl)butyl]benzene
CID 174779552
3-(2-chlorophenyl)-2-(4-fluorophenyl)-N-propylpropan-1-amine
CID 79432134

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-difluorophenyl)-N-ethyl-2-(4-fluorophenyl)propan-1-amine?
The IUPAC name of 3-(2,3-difluorophenyl)-N-ethyl-2-(4-fluorophenyl)propan-1-amine (CID 79432828) is 3-(2,3-difluorophenyl)-N-ethyl-2-(4-fluorophenyl)propan-1-amine.
What is the SMILES notation for 3-(2,3-difluorophenyl)-N-ethyl-2-(4-fluorophenyl)propan-1-amine?
The canonical SMILES for 3-(2,3-difluorophenyl)-N-ethyl-2-(4-fluorophenyl)propan-1-amine is CCNCC(Cc1cccc(F)c1F)c1ccc(F)cc1.
What is the InChIKey of 3-(2,3-difluorophenyl)-N-ethyl-2-(4-fluorophenyl)propan-1-amine?
The InChIKey is BXOFHSONNQGDIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N/c1-2-21-11-14(12-6-8-15(18)9-7-12)10-13-4-3-5-16(19)17(13)20/h3-9,14,21H,2,10-11H2,1H3.
What are the key properties of 3-(2,3-difluorophenyl)-N-ethyl-2-(4-fluorophenyl)propan-1-amine?
3-(2,3-difluorophenyl)-N-ethyl-2-(4-fluorophenyl)propan-1-amine has a molecular weight of 293.33 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-difluorophenyl)-N-ethyl-2-(4-fluorophenyl)propan-1-amine is sourced from PubChem (CID 79432828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).