N-[cyclobutylidene-[3-(trifluoromethyl)phenyl]methyl]-3,4-dimethylaniline

C20H20F3N — CID 145293871

IUPACN-[cyclobutylidene-[3-(trifluoromethyl)phenyl]methyl]-3,4-dimethylaniline
SMILESCc1ccc(NC(=C2CCC2)c2cccc(C(F)(F)F)c2)cc1C
InChIInChI=1S/C20H20F3N/c1-13-9-10-18(11-14(13)2)24-19(15-5-3-6-15)16-7-4-8-17(12-16)20(21,22)23/h4,7-12,24H,3,5-6H2,1-2H3
InChIKeyYLBBDLUBJQGWKW-UHFFFAOYSA-N
MW331.38 g/mol
LogP6.33
Rot. Bonds3

About N-[cyclobutylidene-[3-(trifluoromethyl)phenyl]methyl]-3,4-dimethylaniline

N-[cyclobutylidene-[3-(trifluoromethyl)phenyl]methyl]-3,4-dimethylaniline (PubChem CID 145293871) has the molecular formula C20H20F3N and a molecular weight of 331.38 g/mol. Its IUPAC name is N-[cyclobutylidene-[3-(trifluoromethyl)phenyl]methyl]-3,4-dimethylaniline.

Molecular Properties

Compound NameN-[cyclobutylidene-[3-(trifluoromethyl)phenyl]methyl]-3,4-dimethylaniline
PubChem CID145293871
Molecular FormulaC20H20F3N
Molecular Weight331.38 g/mol
Exact Mass331.15
IUPAC NameN-[cyclobutylidene-[3-(trifluoromethyl)phenyl]methyl]-3,4-dimethylaniline
SMILESCc1ccc(NC(=C2CCC2)c2cccc(C(F)(F)F)c2)cc1C
InChIInChI=1S/C20H20F3N/c1-13-9-10-18(11-14(13)2)24-19(15-5-3-6-15)16-7-4-8-17(12-16)20(21,22)23/h4,7-12,24H,3,5-6H2,1-2H3
InChIKeyYLBBDLUBJQGWKW-UHFFFAOYSA-N
XLogP6.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.38
LogP ≤ 56.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3,4-dimethyl-N-[(Z)-1-[3-(trifluoromethyl)phenyl]prop-1-enyl]aniline
CID 145293927
N'-[3,5-bis(trifluoromethyl)phenyl]-N-(3,4-dimethylphenyl)oxamide
CID 108523144
N-(4-bromophenyl)-N'-methyl-3-(trifluoromethyl)benzenecarboximidamide
CID 2766802
N-(3,4-dimethylphenyl)-2-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenoxy]acetamide
CID 4241232
N-[3-methyl-4-[(3-methylsulfonylbenzoyl)amino]phenyl]-3-(trifluoromethyl)benzamide
CID 46542208
1-[3-(tert-butylamino)-4-methylphenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 146622176
N-(3-bromo-4-fluorophenyl)-3-(trifluoromethyl)benzamide
CID 104779331
N-[3-methyl-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide
CID 169307872
N-[3-methyl-4-[1-(oxan-4-yl)ethyl]phenyl]-3-(trifluoromethyl)benzamide
CID 91565883
3-N-tert-butyl-1-N-(3,4-dimethylphenyl)benzene-1,3-dicarboxamide
CID 109055998
N-(4-fluorophenyl)-N'-methyl-3-(trifluoromethyl)benzenecarboximidamide
CID 2766783
N-[(E)-(5-chloro-2,3-dimethyl-8,9-dihydro-7H-benzo[7]annulen-6-yl)methylideneamino]-3-(trifluoromethyl)benzamide
CID 118715804

Frequently Asked Questions

What is the IUPAC name of N-[cyclobutylidene-[3-(trifluoromethyl)phenyl]methyl]-3,4-dimethylaniline?
The IUPAC name of N-[cyclobutylidene-[3-(trifluoromethyl)phenyl]methyl]-3,4-dimethylaniline (CID 145293871) is N-[cyclobutylidene-[3-(trifluoromethyl)phenyl]methyl]-3,4-dimethylaniline.
What is the SMILES notation for N-[cyclobutylidene-[3-(trifluoromethyl)phenyl]methyl]-3,4-dimethylaniline?
The canonical SMILES for N-[cyclobutylidene-[3-(trifluoromethyl)phenyl]methyl]-3,4-dimethylaniline is Cc1ccc(NC(=C2CCC2)c2cccc(C(F)(F)F)c2)cc1C.
What is the InChIKey of N-[cyclobutylidene-[3-(trifluoromethyl)phenyl]methyl]-3,4-dimethylaniline?
The InChIKey is YLBBDLUBJQGWKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N/c1-13-9-10-18(11-14(13)2)24-19(15-5-3-6-15)16-7-4-8-17(12-16)20(21,22)23/h4,7-12,24H,3,5-6H2,1-2H3.
What are the key properties of N-[cyclobutylidene-[3-(trifluoromethyl)phenyl]methyl]-3,4-dimethylaniline?
N-[cyclobutylidene-[3-(trifluoromethyl)phenyl]methyl]-3,4-dimethylaniline has a molecular weight of 331.38 g/mol, XLogP of 6.33, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclobutylidene-[3-(trifluoromethyl)phenyl]methyl]-3,4-dimethylaniline is sourced from PubChem (CID 145293871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).