N-[1-(2,5-difluorophenyl)ethyl]-1-(2-fluorophenyl)propan-2-amine

C17H18F3N — CID 114828542

IUPACN-[1-(2,5-difluorophenyl)ethyl]-1-(2-fluorophenyl)propan-2-amine
SMILESCC(Cc1ccccc1F)NC(C)c1cc(F)ccc1F
InChIInChI=1S/C17H18F3N/c1-11(9-13-5-3-4-6-16(13)19)21-12(2)15-10-14(18)7-8-17(15)20/h3-8,10-12,21H,9H2,1-2H3
InChIKeySBPSRFGVTRJPHR-UHFFFAOYSA-N
MW293.33 g/mol
LogP4.39
Rot. Bonds5

About N-[1-(2,5-difluorophenyl)ethyl]-1-(2-fluorophenyl)propan-2-amine

N-[1-(2,5-difluorophenyl)ethyl]-1-(2-fluorophenyl)propan-2-amine (PubChem CID 114828542) has the molecular formula C17H18F3N and a molecular weight of 293.33 g/mol. Its IUPAC name is N-[1-(2,5-difluorophenyl)ethyl]-1-(2-fluorophenyl)propan-2-amine.

Molecular Properties

Compound NameN-[1-(2,5-difluorophenyl)ethyl]-1-(2-fluorophenyl)propan-2-amine
PubChem CID114828542
Molecular FormulaC17H18F3N
Molecular Weight293.33 g/mol
Exact Mass293.14
IUPAC NameN-[1-(2,5-difluorophenyl)ethyl]-1-(2-fluorophenyl)propan-2-amine
SMILESCC(Cc1ccccc1F)NC(C)c1cc(F)ccc1F
InChIInChI=1S/C17H18F3N/c1-11(9-13-5-3-4-6-16(13)19)21-12(2)15-10-14(18)7-8-17(15)20/h3-8,10-12,21H,9H2,1-2H3
InChIKeySBPSRFGVTRJPHR-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-(2-fluorophenyl)-N-[1-(4-fluorophenyl)ethyl]propan-2-amine
CID 114828278
N-[1-(2-fluorophenyl)ethyl]-1-(2-methylphenyl)propan-2-amine
CID 60943739
N-[1-(2,5-difluorophenyl)ethyl]-4-phenylbutan-2-amine
CID 43110371
(2R)-2-[[(1S)-1-(2,5-difluorophenyl)ethyl]amino]propan-1-ol
CID 93082624
N-[1-(2,5-difluorophenyl)ethyl]-1-(furan-2-yl)propan-2-amine
CID 43693054
2,5-difluoro-N-[1-(2-fluorophenyl)propan-2-yl]aniline
CID 114828016
N-[1-(2,5-difluorophenyl)ethyl]pentan-2-amine
CID 43191491
N-[1-(4-ethylphenyl)ethyl]-1-(2-fluorophenyl)propan-2-amine
CID 114828627
N-[1-(2,5-difluorophenyl)ethyl]-2,6-dimethylheptan-4-amine
CID 43674172
N-[1-(2,5-difluorophenyl)ethyl]-1-thiophen-3-ylpropan-2-amine
CID 61472940
N-[1-(2,5-difluorophenyl)ethyl]-6-methylheptan-2-amine
CID 43108471
N-[1-(2,5-difluorophenyl)ethyl]-4-methylsulfanylbutan-2-amine
CID 115639051

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-difluorophenyl)ethyl]-1-(2-fluorophenyl)propan-2-amine?
The IUPAC name of N-[1-(2,5-difluorophenyl)ethyl]-1-(2-fluorophenyl)propan-2-amine (CID 114828542) is N-[1-(2,5-difluorophenyl)ethyl]-1-(2-fluorophenyl)propan-2-amine.
What is the SMILES notation for N-[1-(2,5-difluorophenyl)ethyl]-1-(2-fluorophenyl)propan-2-amine?
The canonical SMILES for N-[1-(2,5-difluorophenyl)ethyl]-1-(2-fluorophenyl)propan-2-amine is CC(Cc1ccccc1F)NC(C)c1cc(F)ccc1F.
What is the InChIKey of N-[1-(2,5-difluorophenyl)ethyl]-1-(2-fluorophenyl)propan-2-amine?
The InChIKey is SBPSRFGVTRJPHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N/c1-11(9-13-5-3-4-6-16(13)19)21-12(2)15-10-14(18)7-8-17(15)20/h3-8,10-12,21H,9H2,1-2H3.
What are the key properties of N-[1-(2,5-difluorophenyl)ethyl]-1-(2-fluorophenyl)propan-2-amine?
N-[1-(2,5-difluorophenyl)ethyl]-1-(2-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-(2,5-difluorophenyl)ethyl]-1-(2-fluorophenyl)propan-2-amine is sourced from PubChem (CID 114828542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).