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

C18H21F2N — CID 79430105

IUPAC3-(2,4-difluorophenyl)-N-ethyl-2-(4-methylphenyl)propan-1-amine
SMILESCCNCC(Cc1ccc(F)cc1F)c1ccc(C)cc1
InChIInChI=1S/C18H21F2N/c1-3-21-12-16(14-6-4-13(2)5-7-14)10-15-8-9-17(19)11-18(15)20/h4-9,11,16,21H,3,10,12H2,1-2H3
InChIKeyKTRFYYCHFDNHPH-UHFFFAOYSA-N
MW289.37 g/mol
LogP4.21
Rot. Bonds6

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

3-(2,4-difluorophenyl)-N-ethyl-2-(4-methylphenyl)propan-1-amine (PubChem CID 79430105) has the molecular formula C18H21F2N and a molecular weight of 289.37 g/mol. Its IUPAC name is 3-(2,4-difluorophenyl)-N-ethyl-2-(4-methylphenyl)propan-1-amine.

Molecular Properties

Compound Name3-(2,4-difluorophenyl)-N-ethyl-2-(4-methylphenyl)propan-1-amine
PubChem CID79430105
Molecular FormulaC18H21F2N
Molecular Weight289.37 g/mol
Exact Mass289.16
IUPAC Name3-(2,4-difluorophenyl)-N-ethyl-2-(4-methylphenyl)propan-1-amine
SMILESCCNCC(Cc1ccc(F)cc1F)c1ccc(C)cc1
InChIInChI=1S/C18H21F2N/c1-3-21-12-16(14-6-4-13(2)5-7-14)10-15-8-9-17(19)11-18(15)20/h4-9,11,16,21H,3,10,12H2,1-2H3
InChIKeyKTRFYYCHFDNHPH-UHFFFAOYSA-N
XLogP4.21
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.37
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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
2-(3-chlorophenyl)-3-(2,4-difluorophenyl)-N-ethylpropan-1-amine
CID 79433435
2-(2,4-difluorophenyl)-N-ethyl-1-(4-methylphenyl)ethanamine
CID 62196079
3-(4-bromo-2-fluorophenyl)-N-methyl-2-(4-methylphenyl)propan-1-amine
CID 79436831
3-(2,5-dichlorophenyl)-N-ethyl-2-(4-methylphenyl)propan-1-amine
CID 79430391
3-(4-chloro-2-fluorophenyl)-N-ethyl-2-(3-fluorophenyl)propan-1-amine
CID 114858835
4-(2,4-difluorophenyl)-N-ethyl-2-phenylbutan-1-amine
CID 81027876
3-(2,3-difluorophenyl)-N-ethyl-2-(4-fluorophenyl)propan-1-amine
CID 79432828
2-[(2,4-difluorophenyl)methyl]-N-ethylpentan-1-amine
CID 62528521
3-(2-chlorophenyl)-N-ethyl-2-(4-methylphenyl)propan-1-amine
CID 79435732
N-ethyl-3-(2-fluorophenyl)-2-(3-methylphenyl)propan-1-amine
CID 79417898

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-difluorophenyl)-N-ethyl-2-(4-methylphenyl)propan-1-amine?
The IUPAC name of 3-(2,4-difluorophenyl)-N-ethyl-2-(4-methylphenyl)propan-1-amine (CID 79430105) is 3-(2,4-difluorophenyl)-N-ethyl-2-(4-methylphenyl)propan-1-amine.
What is the SMILES notation for 3-(2,4-difluorophenyl)-N-ethyl-2-(4-methylphenyl)propan-1-amine?
The canonical SMILES for 3-(2,4-difluorophenyl)-N-ethyl-2-(4-methylphenyl)propan-1-amine is CCNCC(Cc1ccc(F)cc1F)c1ccc(C)cc1.
What is the InChIKey of 3-(2,4-difluorophenyl)-N-ethyl-2-(4-methylphenyl)propan-1-amine?
The InChIKey is KTRFYYCHFDNHPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F2N/c1-3-21-12-16(14-6-4-13(2)5-7-14)10-15-8-9-17(19)11-18(15)20/h4-9,11,16,21H,3,10,12H2,1-2H3.
What are the key properties of 3-(2,4-difluorophenyl)-N-ethyl-2-(4-methylphenyl)propan-1-amine?
3-(2,4-difluorophenyl)-N-ethyl-2-(4-methylphenyl)propan-1-amine has a molecular weight of 289.37 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-difluorophenyl)-N-ethyl-2-(4-methylphenyl)propan-1-amine is sourced from PubChem (CID 79430105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).