4-methyl-N-(3-methylcyclohexyl)-3-(trifluoromethyl)aniline

C15H20F3N — CID 63455931

IUPAC4-methyl-N-(3-methylcyclohexyl)-3-(trifluoromethyl)aniline
SMILESCc1ccc(NC2CCCC(C)C2)cc1C(F)(F)F
InChIInChI=1S/C15H20F3N/c1-10-4-3-5-12(8-10)19-13-7-6-11(2)14(9-13)15(16,17)18/h6-7,9-10,12,19H,3-5,8H2,1-2H3
InChIKeySWYGYNWLHBPKOV-UHFFFAOYSA-N
MW271.33 g/mol
LogP5.00
Rot. Bonds2

About 4-methyl-N-(3-methylcyclohexyl)-3-(trifluoromethyl)aniline

4-methyl-N-(3-methylcyclohexyl)-3-(trifluoromethyl)aniline (PubChem CID 63455931) has the molecular formula C15H20F3N and a molecular weight of 271.33 g/mol. Its IUPAC name is 4-methyl-N-(3-methylcyclohexyl)-3-(trifluoromethyl)aniline.

Molecular Properties

Compound Name4-methyl-N-(3-methylcyclohexyl)-3-(trifluoromethyl)aniline
PubChem CID63455931
Molecular FormulaC15H20F3N
Molecular Weight271.33 g/mol
Exact Mass271.15
IUPAC Name4-methyl-N-(3-methylcyclohexyl)-3-(trifluoromethyl)aniline
SMILESCc1ccc(NC2CCCC(C)C2)cc1C(F)(F)F
InChIInChI=1S/C15H20F3N/c1-10-4-3-5-12(8-10)19-13-7-6-11(2)14(9-13)15(16,17)18/h6-7,9-10,12,19H,3-5,8H2,1-2H3
InChIKeySWYGYNWLHBPKOV-UHFFFAOYSA-N
XLogP5.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500271.33
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(3-methylcyclohexyl)-3-(trifluoromethyl)aniline?
The IUPAC name of 4-methyl-N-(3-methylcyclohexyl)-3-(trifluoromethyl)aniline (CID 63455931) is 4-methyl-N-(3-methylcyclohexyl)-3-(trifluoromethyl)aniline.
What is the SMILES notation for 4-methyl-N-(3-methylcyclohexyl)-3-(trifluoromethyl)aniline?
The canonical SMILES for 4-methyl-N-(3-methylcyclohexyl)-3-(trifluoromethyl)aniline is Cc1ccc(NC2CCCC(C)C2)cc1C(F)(F)F.
What is the InChIKey of 4-methyl-N-(3-methylcyclohexyl)-3-(trifluoromethyl)aniline?
The InChIKey is SWYGYNWLHBPKOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N/c1-10-4-3-5-12(8-10)19-13-7-6-11(2)14(9-13)15(16,17)18/h6-7,9-10,12,19H,3-5,8H2,1-2H3.
What are the key properties of 4-methyl-N-(3-methylcyclohexyl)-3-(trifluoromethyl)aniline?
4-methyl-N-(3-methylcyclohexyl)-3-(trifluoromethyl)aniline has a molecular weight of 271.33 g/mol, XLogP of 5.00, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(3-methylcyclohexyl)-3-(trifluoromethyl)aniline is sourced from PubChem (CID 63455931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).