3,3,3-trifluoro-1-phenyl-N-(1-phenylethyl)propan-1-amine

C17H18F3N — CID 43755979

IUPAC3,3,3-trifluoro-1-phenyl-N-(1-phenylethyl)propan-1-amine
SMILESCC(NC(CC(F)(F)F)c1ccccc1)c1ccccc1
InChIInChI=1S/C17H18F3N/c1-13(14-8-4-2-5-9-14)21-16(12-17(18,19)20)15-10-6-3-7-11-15/h2-11,13,16,21H,12H2,1H3
InChIKeyMAKICKBUTUMWMI-UHFFFAOYSA-N
MW293.33 g/mol
LogP5.03
Rot. Bonds5

About 3,3,3-trifluoro-1-phenyl-N-(1-phenylethyl)propan-1-amine

3,3,3-trifluoro-1-phenyl-N-(1-phenylethyl)propan-1-amine (PubChem CID 43755979) has the molecular formula C17H18F3N and a molecular weight of 293.33 g/mol. Its IUPAC name is 3,3,3-trifluoro-1-phenyl-N-(1-phenylethyl)propan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-1-phenyl-N-(1-phenylethyl)propan-1-amine
PubChem CID43755979
Molecular FormulaC17H18F3N
Molecular Weight293.33 g/mol
Exact Mass293.14
IUPAC Name3,3,3-trifluoro-1-phenyl-N-(1-phenylethyl)propan-1-amine
SMILESCC(NC(CC(F)(F)F)c1ccccc1)c1ccccc1
InChIInChI=1S/C17H18F3N/c1-13(14-8-4-2-5-9-14)21-16(12-17(18,19)20)15-10-6-3-7-11-15/h2-11,13,16,21H,12H2,1H3
InChIKeyMAKICKBUTUMWMI-UHFFFAOYSA-N
XLogP5.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.33
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-phenyl-N-[(1S)-1-phenylethyl]propan-1-amine
CID 78956018
4,4,4-trifluoro-2-[[(1R)-1-phenylethyl]amino]butanenitrile
CID 67579620
N-ethyl-3,3,3-trifluoro-1-phenylpropan-1-amine
CID 43489138
2-[(3,3,3-trifluoro-1-phenylpropyl)amino]butan-1-ol
CID 43771162
3-methyl-1-phenyl-N-(1-phenylethyl)butan-1-amine
CID 43081295
3-methyl-1-phenyl-N-[(1S)-1-phenylethyl]butan-1-amine
CID 81351399
4-methyl-N-(3,3,3-trifluoro-1-phenylpropyl)aniline
CID 43765835
(2S)-2-phenyl-2-[1-[4-(trifluoromethyl)phenyl]ethylamino]ethanol
CID 111521938
1-phenyl-N-[1-(4-propan-2-ylphenyl)ethyl]propan-1-amine
CID 43712916
3,3,3-trifluoro-1-phenyl-N-prop-2-ynylpropan-1-amine
CID 43755356
N-(3,3,3-trifluoro-1-phenylpropyl)hex-1-yn-3-amine
CID 106226313
3,3-dimethyl-1-phenyl-N-[1-(1H-pyrazol-4-yl)ethyl]butan-1-amine
CID 106209318

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-1-phenyl-N-(1-phenylethyl)propan-1-amine?
The IUPAC name of 3,3,3-trifluoro-1-phenyl-N-(1-phenylethyl)propan-1-amine (CID 43755979) is 3,3,3-trifluoro-1-phenyl-N-(1-phenylethyl)propan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-1-phenyl-N-(1-phenylethyl)propan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-1-phenyl-N-(1-phenylethyl)propan-1-amine is CC(NC(CC(F)(F)F)c1ccccc1)c1ccccc1.
What is the InChIKey of 3,3,3-trifluoro-1-phenyl-N-(1-phenylethyl)propan-1-amine?
The InChIKey is MAKICKBUTUMWMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N/c1-13(14-8-4-2-5-9-14)21-16(12-17(18,19)20)15-10-6-3-7-11-15/h2-11,13,16,21H,12H2,1H3.
What are the key properties of 3,3,3-trifluoro-1-phenyl-N-(1-phenylethyl)propan-1-amine?
3,3,3-trifluoro-1-phenyl-N-(1-phenylethyl)propan-1-amine has a molecular weight of 293.33 g/mol, XLogP of 5.03, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-1-phenyl-N-(1-phenylethyl)propan-1-amine is sourced from PubChem (CID 43755979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).