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

C17H18F3N — CID 62196900

IUPAC1-(2,4-difluorophenyl)-N-ethyl-3-(2-fluorophenyl)propan-2-amine
SMILESCCNC(Cc1ccccc1F)Cc1ccc(F)cc1F
InChIInChI=1S/C17H18F3N/c1-2-21-15(9-12-5-3-4-6-16(12)19)10-13-7-8-14(18)11-17(13)20/h3-8,11,15,21H,2,9-10H2,1H3
InChIKeyIWQWWDRHEMGRSV-UHFFFAOYSA-N
MW293.33 g/mol
LogP3.87
Rot. Bonds6

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

1-(2,4-difluorophenyl)-N-ethyl-3-(2-fluorophenyl)propan-2-amine (PubChem CID 62196900) has the molecular formula C17H18F3N and a molecular weight of 293.33 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-N-ethyl-3-(2-fluorophenyl)propan-2-amine.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-N-ethyl-3-(2-fluorophenyl)propan-2-amine
PubChem CID62196900
Molecular FormulaC17H18F3N
Molecular Weight293.33 g/mol
Exact Mass293.14
IUPAC Name1-(2,4-difluorophenyl)-N-ethyl-3-(2-fluorophenyl)propan-2-amine
SMILESCCNC(Cc1ccccc1F)Cc1ccc(F)cc1F
InChIInChI=1S/C17H18F3N/c1-2-21-15(9-12-5-3-4-6-16(12)19)10-13-7-8-14(18)11-17(13)20/h3-8,11,15,21H,2,9-10H2,1H3
InChIKeyIWQWWDRHEMGRSV-UHFFFAOYSA-N
XLogP3.87
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 ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-chloro-2-fluorophenyl)-N-ethyl-3-(2-fluorophenyl)propan-2-amine
CID 114855387
1-(2-bromo-5-fluorophenyl)-N-ethyl-3-(2-fluorophenyl)propan-2-amine
CID 62605376
1-(4-chlorophenyl)-N-ethyl-3-(2-fluorophenyl)propan-2-amine
CID 60818141
1-(2,4-difluorophenyl)-N-ethylpropan-2-amine
CID 62195914
1-(2-chlorophenyl)-N-ethyl-3-(4-fluoro-2-methylphenyl)propan-2-amine
CID 114347786
1-(2,4-difluorophenyl)-N-ethyl-5-methoxypentan-2-amine
CID 64559477
1-(cyclohexen-1-yl)-3-(2,4-difluorophenyl)-N-ethylpropan-2-amine
CID 116661880
1-(4-fluoro-2-methylphenyl)-3-(2-fluorophenyl)-N-methylpropan-2-amine
CID 114347757
1-(2,4-difluorophenyl)-N-ethyl-3-(1-methyltriazol-4-yl)propan-2-amine
CID 107049316
1-(2,4-difluorophenyl)-N-ethyl-3-(1-methylimidazol-2-yl)propan-2-amine
CID 79761359
1-(2,4-difluorophenyl)-N-ethyl-3-(1-methylpyrazol-4-yl)propan-2-amine
CID 64559283
N-ethyl-1-(2-fluorophenyl)hex-4-yn-2-amine
CID 62310597

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-N-ethyl-3-(2-fluorophenyl)propan-2-amine?
The IUPAC name of 1-(2,4-difluorophenyl)-N-ethyl-3-(2-fluorophenyl)propan-2-amine (CID 62196900) is 1-(2,4-difluorophenyl)-N-ethyl-3-(2-fluorophenyl)propan-2-amine.
What is the SMILES notation for 1-(2,4-difluorophenyl)-N-ethyl-3-(2-fluorophenyl)propan-2-amine?
The canonical SMILES for 1-(2,4-difluorophenyl)-N-ethyl-3-(2-fluorophenyl)propan-2-amine is CCNC(Cc1ccccc1F)Cc1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-N-ethyl-3-(2-fluorophenyl)propan-2-amine?
The InChIKey is IWQWWDRHEMGRSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N/c1-2-21-15(9-12-5-3-4-6-16(12)19)10-13-7-8-14(18)11-17(13)20/h3-8,11,15,21H,2,9-10H2,1H3.
What are the key properties of 1-(2,4-difluorophenyl)-N-ethyl-3-(2-fluorophenyl)propan-2-amine?
1-(2,4-difluorophenyl)-N-ethyl-3-(2-fluorophenyl)propan-2-amine has a molecular weight of 293.33 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-N-ethyl-3-(2-fluorophenyl)propan-2-amine is sourced from PubChem (CID 62196900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).