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

C17H18F3N — CID 63008182

IUPACN-[1-(3,4-difluorophenyl)ethyl]-1-(4-fluorophenyl)propan-2-amine
SMILESCC(Cc1ccc(F)cc1)NC(C)c1ccc(F)c(F)c1
InChIInChI=1S/C17H18F3N/c1-11(9-13-3-6-15(18)7-4-13)21-12(2)14-5-8-16(19)17(20)10-14/h3-8,10-12,21H,9H2,1-2H3
InChIKeyNEPWNGYAWLACOF-UHFFFAOYSA-N
MW293.33 g/mol
LogP4.39
Rot. Bonds5

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

N-[1-(3,4-difluorophenyl)ethyl]-1-(4-fluorophenyl)propan-2-amine (PubChem CID 63008182) has the molecular formula C17H18F3N and a molecular weight of 293.33 g/mol. Its IUPAC name is N-[1-(3,4-difluorophenyl)ethyl]-1-(4-fluorophenyl)propan-2-amine.

Molecular Properties

Compound NameN-[1-(3,4-difluorophenyl)ethyl]-1-(4-fluorophenyl)propan-2-amine
PubChem CID63008182
Molecular FormulaC17H18F3N
Molecular Weight293.33 g/mol
Exact Mass293.14
IUPAC NameN-[1-(3,4-difluorophenyl)ethyl]-1-(4-fluorophenyl)propan-2-amine
SMILESCC(Cc1ccc(F)cc1)NC(C)c1ccc(F)c(F)c1
InChIInChI=1S/C17H18F3N/c1-11(9-13-3-6-15(18)7-4-13)21-12(2)14-5-8-16(19)17(20)10-14/h3-8,10-12,21H,9H2,1-2H3
InChIKeyNEPWNGYAWLACOF-UHFFFAOYSA-N
XLogP4.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-fluorophenyl)-N-[1-(4-methylphenyl)ethyl]propan-2-amine
CID 63008352
1-(4-bromophenyl)-N-[1-(4-fluorophenyl)ethyl]propan-2-amine
CID 43695926
1-(3-fluorophenyl)-N-[(1S)-1-(4-fluorophenyl)ethyl]propan-2-amine
CID 104979722
N-[1-(3-bromo-4-fluorophenyl)ethyl]-1-phenylpropan-2-amine
CID 63462421
N-[1-(3,4-difluorophenyl)ethyl]-3-methylbutan-2-amine
CID 43131289
3-[1-(3,4-difluorophenyl)ethylamino]butan-1-ol
CID 79145040
1-(4-fluorophenyl)-N-(1-thiophen-3-ylethyl)propan-2-amine
CID 63008178
2-[1-(3,4-difluorophenyl)ethylamino]-3-phenylpropan-1-ol
CID 63260929
N-[1-(3-fluoro-4-methylphenyl)ethyl]-1-(3-fluorophenyl)propan-2-amine
CID 114830222
N-[1-(3,4-difluorophenyl)ethyl]-1-ethylsulfanylpropan-2-amine
CID 115668175
1,2-difluoro-4-(2-methylpropyl)benzene;1-fluoro-4-(2-methylpropyl)benzene
CID 157379401
(1R)-N-[1-(3,4-difluorophenyl)ethyl]-1-(3-fluorophenyl)ethanamine
CID 81368634

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-difluorophenyl)ethyl]-1-(4-fluorophenyl)propan-2-amine?
The IUPAC name of N-[1-(3,4-difluorophenyl)ethyl]-1-(4-fluorophenyl)propan-2-amine (CID 63008182) is N-[1-(3,4-difluorophenyl)ethyl]-1-(4-fluorophenyl)propan-2-amine.
What is the SMILES notation for N-[1-(3,4-difluorophenyl)ethyl]-1-(4-fluorophenyl)propan-2-amine?
The canonical SMILES for N-[1-(3,4-difluorophenyl)ethyl]-1-(4-fluorophenyl)propan-2-amine is CC(Cc1ccc(F)cc1)NC(C)c1ccc(F)c(F)c1.
What is the InChIKey of N-[1-(3,4-difluorophenyl)ethyl]-1-(4-fluorophenyl)propan-2-amine?
The InChIKey is NEPWNGYAWLACOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N/c1-11(9-13-3-6-15(18)7-4-13)21-12(2)14-5-8-16(19)17(20)10-14/h3-8,10-12,21H,9H2,1-2H3.
What are the key properties of N-[1-(3,4-difluorophenyl)ethyl]-1-(4-fluorophenyl)propan-2-amine?
N-[1-(3,4-difluorophenyl)ethyl]-1-(4-fluorophenyl)propan-2-amine has a molecular weight of 293.33 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-difluorophenyl)ethyl]-1-(4-fluorophenyl)propan-2-amine is sourced from PubChem (CID 63008182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).