3,4-dimethyl-N-[(Z)-1-[3-(trifluoromethyl)phenyl]prop-1-enyl]aniline

C18H18F3N — CID 145293927

IUPAC3,4-dimethyl-N-[(Z)-1-[3-(trifluoromethyl)phenyl]prop-1-enyl]aniline
SMILESC/C=C(\Nc1ccc(C)c(C)c1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H18F3N/c1-4-17(22-16-9-8-12(2)13(3)10-16)14-6-5-7-15(11-14)18(19,20)21/h4-11,22H,1-3H3/b17-4-
InChIKeyVTTSKSRBGUSSGI-INGKJJEOSA-N
MW305.34 g/mol
LogP5.80
Rot. Bonds3

About 3,4-dimethyl-N-[(Z)-1-[3-(trifluoromethyl)phenyl]prop-1-enyl]aniline

3,4-dimethyl-N-[(Z)-1-[3-(trifluoromethyl)phenyl]prop-1-enyl]aniline (PubChem CID 145293927) has the molecular formula C18H18F3N and a molecular weight of 305.34 g/mol. Its IUPAC name is 3,4-dimethyl-N-[(Z)-1-[3-(trifluoromethyl)phenyl]prop-1-enyl]aniline.

Molecular Properties

Compound Name3,4-dimethyl-N-[(Z)-1-[3-(trifluoromethyl)phenyl]prop-1-enyl]aniline
PubChem CID145293927
Molecular FormulaC18H18F3N
Molecular Weight305.34 g/mol
Exact Mass305.14
IUPAC Name3,4-dimethyl-N-[(Z)-1-[3-(trifluoromethyl)phenyl]prop-1-enyl]aniline
SMILESC/C=C(\Nc1ccc(C)c(C)c1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H18F3N/c1-4-17(22-16-9-8-12(2)13(3)10-16)14-6-5-7-15(11-14)18(19,20)21/h4-11,22H,1-3H3/b17-4-
InChIKeyVTTSKSRBGUSSGI-INGKJJEOSA-N
XLogP5.80
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.34
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[cyclobutylidene-[3-(trifluoromethyl)phenyl]methyl]-3,4-dimethylaniline
CID 145293871
N'-[3,5-bis(trifluoromethyl)phenyl]-N-(3,4-dimethylphenyl)oxamide
CID 108523144
(2S)-2-(3,4-dimethylphenoxy)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 890062
N-[3-methyl-4-[(3-methylsulfonylbenzoyl)amino]phenyl]-3-(trifluoromethyl)benzamide
CID 46542208
[(1S)-2-(3-chloro-4-methylanilino)-2-oxo-1-phenylethyl] 3-(trifluoromethyl)benzoate
CID 2427062
(Z)-1,3-diphenyl-3-[3-(trifluoromethyl)anilino]prop-2-en-1-one
CID 53385273
N-[3-methyl-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide
CID 169307872
N-(3,4-dimethylphenyl)-4-[N-methylsulfonyl-3-(trifluoromethyl)anilino]butanamide
CID 53287006
N-(4-fluorophenyl)-N'-methyl-3-(trifluoromethyl)benzenecarboximidamide
CID 2766783
1-(3,4-dimethylphenyl)-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea
CID 118001195
3-acetamido-N-[4-methyl-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide
CID 25359012
N-(3,4-dimethylphenyl)-2-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenoxy]acetamide
CID 4241232

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-[(Z)-1-[3-(trifluoromethyl)phenyl]prop-1-enyl]aniline?
The IUPAC name of 3,4-dimethyl-N-[(Z)-1-[3-(trifluoromethyl)phenyl]prop-1-enyl]aniline (CID 145293927) is 3,4-dimethyl-N-[(Z)-1-[3-(trifluoromethyl)phenyl]prop-1-enyl]aniline.
What is the SMILES notation for 3,4-dimethyl-N-[(Z)-1-[3-(trifluoromethyl)phenyl]prop-1-enyl]aniline?
The canonical SMILES for 3,4-dimethyl-N-[(Z)-1-[3-(trifluoromethyl)phenyl]prop-1-enyl]aniline is C/C=C(\Nc1ccc(C)c(C)c1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 3,4-dimethyl-N-[(Z)-1-[3-(trifluoromethyl)phenyl]prop-1-enyl]aniline?
The InChIKey is VTTSKSRBGUSSGI-INGKJJEOSA-N. The full InChI is InChI=1S/C18H18F3N/c1-4-17(22-16-9-8-12(2)13(3)10-16)14-6-5-7-15(11-14)18(19,20)21/h4-11,22H,1-3H3/b17-4-.
What are the key properties of 3,4-dimethyl-N-[(Z)-1-[3-(trifluoromethyl)phenyl]prop-1-enyl]aniline?
3,4-dimethyl-N-[(Z)-1-[3-(trifluoromethyl)phenyl]prop-1-enyl]aniline has a molecular weight of 305.34 g/mol, XLogP of 5.80, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-[(Z)-1-[3-(trifluoromethyl)phenyl]prop-1-enyl]aniline is sourced from PubChem (CID 145293927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).