2-[(Z)-1,3-diphenylprop-1-enyl]-6-(trifluoromethyl)aniline

C22H18F3N — CID 68579329

IUPAC2-[(Z)-1,3-diphenylprop-1-enyl]-6-(trifluoromethyl)aniline
SMILESNc1c(/C(=C\Cc2ccccc2)c2ccccc2)cccc1C(F)(F)F
InChIInChI=1S/C22H18F3N/c23-22(24,25)20-13-7-12-19(21(20)26)18(17-10-5-2-6-11-17)15-14-16-8-3-1-4-9-16/h1-13,15H,14,26H2/b18-15-
InChIKeyCKPFXSUSKZGCCY-SDXDJHTJSA-N
MW353.39 g/mol
LogP5.96
Rot. Bonds4

About 2-[(Z)-1,3-diphenylprop-1-enyl]-6-(trifluoromethyl)aniline

2-[(Z)-1,3-diphenylprop-1-enyl]-6-(trifluoromethyl)aniline (PubChem CID 68579329) has the molecular formula C22H18F3N and a molecular weight of 353.39 g/mol. Its IUPAC name is 2-[(Z)-1,3-diphenylprop-1-enyl]-6-(trifluoromethyl)aniline.

Molecular Properties

Compound Name2-[(Z)-1,3-diphenylprop-1-enyl]-6-(trifluoromethyl)aniline
PubChem CID68579329
Molecular FormulaC22H18F3N
Molecular Weight353.39 g/mol
Exact Mass353.14
IUPAC Name2-[(Z)-1,3-diphenylprop-1-enyl]-6-(trifluoromethyl)aniline
SMILESNc1c(/C(=C\Cc2ccccc2)c2ccccc2)cccc1C(F)(F)F
InChIInChI=1S/C22H18F3N/c23-22(24,25)20-13-7-12-19(21(20)26)18(17-10-5-2-6-11-17)15-14-16-8-3-1-4-9-16/h1-13,15H,14,26H2/b18-15-
InChIKeyCKPFXSUSKZGCCY-SDXDJHTJSA-N
XLogP5.96
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.39
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(E)-N,N-dimethyl-4-phenyl-4-[2-(trifluoromethyl)phenyl]but-3-en-1-amine
CID 171986961
[(E)-1,1,1-trifluoro-4-phenylbut-2-en-2-yl]benzene
CID 175788852
2-amino-1-[2-amino-3-(trifluoromethyl)phenyl]ethanone
CID 105471934
1-[2-amino-3-(trifluoromethyl)phenyl]-2,2,2-trifluoroethanone
CID 98461840
[2-amino-3-(trifluoromethyl)phenyl]-(3-bromophenyl)methanone
CID 68669697
(E)-3-phenyl-3-[2-(trifluoromethyl)phenyl]prop-2-enenitrile
CID 59499325
[(Z)-1-fluoro-3-phenylprop-1-enyl]benzene
CID 15892618
1-chloro-4-(3,3-diphenylprop-2-enyl)benzene
CID 174797148
(Z)-3-imino-1-phenyl-3-[2-(trifluoromethyl)phenyl]prop-1-en-1-amine
CID 162550833
2-amino-3-(trifluoromethyl)benzaldehyde
CID 86701174
1-amino-3-phenylprop-1-en-1-ol
CID 67202427
[2-amino-3-(trifluoromethyl)phenyl] hypochlorite
CID 91120927

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-1,3-diphenylprop-1-enyl]-6-(trifluoromethyl)aniline?
The IUPAC name of 2-[(Z)-1,3-diphenylprop-1-enyl]-6-(trifluoromethyl)aniline (CID 68579329) is 2-[(Z)-1,3-diphenylprop-1-enyl]-6-(trifluoromethyl)aniline.
What is the SMILES notation for 2-[(Z)-1,3-diphenylprop-1-enyl]-6-(trifluoromethyl)aniline?
The canonical SMILES for 2-[(Z)-1,3-diphenylprop-1-enyl]-6-(trifluoromethyl)aniline is Nc1c(/C(=C\Cc2ccccc2)c2ccccc2)cccc1C(F)(F)F.
What is the InChIKey of 2-[(Z)-1,3-diphenylprop-1-enyl]-6-(trifluoromethyl)aniline?
The InChIKey is CKPFXSUSKZGCCY-SDXDJHTJSA-N. The full InChI is InChI=1S/C22H18F3N/c23-22(24,25)20-13-7-12-19(21(20)26)18(17-10-5-2-6-11-17)15-14-16-8-3-1-4-9-16/h1-13,15H,14,26H2/b18-15-.
What are the key properties of 2-[(Z)-1,3-diphenylprop-1-enyl]-6-(trifluoromethyl)aniline?
2-[(Z)-1,3-diphenylprop-1-enyl]-6-(trifluoromethyl)aniline has a molecular weight of 353.39 g/mol, XLogP of 5.96, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-1,3-diphenylprop-1-enyl]-6-(trifluoromethyl)aniline is sourced from PubChem (CID 68579329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).