2-phenyl-1-[2-(trifluoromethyl)phenyl]butan-1-amine

C17H18F3N — CID 115853891

IUPAC2-phenyl-1-[2-(trifluoromethyl)phenyl]butan-1-amine
SMILESCCC(c1ccccc1)C(N)c1ccccc1C(F)(F)F
InChIInChI=1S/C17H18F3N/c1-2-13(12-8-4-3-5-9-12)16(21)14-10-6-7-11-15(14)17(18,19)20/h3-11,13,16H,2,21H2,1H3
InChIKeyDETOWDFILZWDMA-UHFFFAOYSA-N
MW293.33 g/mol
LogP4.90
Rot. Bonds4

About 2-phenyl-1-[2-(trifluoromethyl)phenyl]butan-1-amine

2-phenyl-1-[2-(trifluoromethyl)phenyl]butan-1-amine (PubChem CID 115853891) has the molecular formula C17H18F3N and a molecular weight of 293.33 g/mol. Its IUPAC name is 2-phenyl-1-[2-(trifluoromethyl)phenyl]butan-1-amine.

Molecular Properties

Compound Name2-phenyl-1-[2-(trifluoromethyl)phenyl]butan-1-amine
PubChem CID115853891
Molecular FormulaC17H18F3N
Molecular Weight293.33 g/mol
Exact Mass293.14
IUPAC Name2-phenyl-1-[2-(trifluoromethyl)phenyl]butan-1-amine
SMILESCCC(c1ccccc1)C(N)c1ccccc1C(F)(F)F
InChIInChI=1S/C17H18F3N/c1-2-13(12-8-4-3-5-9-12)16(21)14-10-6-7-11-15(14)17(18,19)20/h3-11,13,16H,2,21H2,1H3
InChIKeyDETOWDFILZWDMA-UHFFFAOYSA-N
XLogP4.90
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-methoxy-2-phenyl-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 116772777
(1S,2S)-1-amino-1-[2-(trifluoromethyl)phenyl]propan-2-ol
CID 131376163
2-amino-2-phenyl-1-[2-(trifluoromethyl)phenyl]ethanol
CID 62717974
4-amino-3-[2-(trifluoromethyl)phenyl]hexanoic acid
CID 66098371
1-(2-fluoro-3-methoxyphenyl)-2-phenylbutan-1-amine
CID 105024997
(4-ethylphenyl)-[2-(trifluoromethyl)phenyl]methanamine
CID 43197636
(1S)-3,3-difluoro-1-[2-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride
CID 171313078
(1R)-3,3-difluoro-1-[2-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride
CID 171313711
2-[2-(trifluoromethyl)phenyl]butanoic acid
CID 62801818
(1R,2S)-1-amino-3,3-dimethyl-1-[2-(trifluoromethyl)phenyl]butan-2-ol;hydrochloride
CID 171160420
[1-amino-3,3-dimethyl-1-[2-(trifluoromethyl)phenyl]butan-2-yl]carbamic acid
CID 69024985
(1R,2S)-1-amino-4-methyl-1-[2-(trifluoromethyl)phenyl]pentan-2-ol;hydrochloride
CID 171160416

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1-[2-(trifluoromethyl)phenyl]butan-1-amine?
The IUPAC name of 2-phenyl-1-[2-(trifluoromethyl)phenyl]butan-1-amine (CID 115853891) is 2-phenyl-1-[2-(trifluoromethyl)phenyl]butan-1-amine.
What is the SMILES notation for 2-phenyl-1-[2-(trifluoromethyl)phenyl]butan-1-amine?
The canonical SMILES for 2-phenyl-1-[2-(trifluoromethyl)phenyl]butan-1-amine is CCC(c1ccccc1)C(N)c1ccccc1C(F)(F)F.
What is the InChIKey of 2-phenyl-1-[2-(trifluoromethyl)phenyl]butan-1-amine?
The InChIKey is DETOWDFILZWDMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N/c1-2-13(12-8-4-3-5-9-12)16(21)14-10-6-7-11-15(14)17(18,19)20/h3-11,13,16H,2,21H2,1H3.
What are the key properties of 2-phenyl-1-[2-(trifluoromethyl)phenyl]butan-1-amine?
2-phenyl-1-[2-(trifluoromethyl)phenyl]butan-1-amine has a molecular weight of 293.33 g/mol, XLogP of 4.90, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1-[2-(trifluoromethyl)phenyl]butan-1-amine is sourced from PubChem (CID 115853891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).