2-ethyl-6-methyl-N-[3-(trifluoromethyl)cyclohexyl]aniline

C16H22F3N — CID 64758818

IUPAC2-ethyl-6-methyl-N-[3-(trifluoromethyl)cyclohexyl]aniline
SMILESCCc1cccc(C)c1NC1CCCC(C(F)(F)F)C1
InChIInChI=1S/C16H22F3N/c1-3-12-7-4-6-11(2)15(12)20-14-9-5-8-13(10-14)16(17,18)19/h4,6-7,13-14,20H,3,5,8-10H2,1-2H3
InChIKeyQNJVQZMNHDNXEY-UHFFFAOYSA-N
MW285.35 g/mol
LogP5.09
Rot. Bonds3

About 2-ethyl-6-methyl-N-[3-(trifluoromethyl)cyclohexyl]aniline

2-ethyl-6-methyl-N-[3-(trifluoromethyl)cyclohexyl]aniline (PubChem CID 64758818) has the molecular formula C16H22F3N and a molecular weight of 285.35 g/mol. Its IUPAC name is 2-ethyl-6-methyl-N-[3-(trifluoromethyl)cyclohexyl]aniline.

Molecular Properties

Compound Name2-ethyl-6-methyl-N-[3-(trifluoromethyl)cyclohexyl]aniline
PubChem CID64758818
Molecular FormulaC16H22F3N
Molecular Weight285.35 g/mol
Exact Mass285.17
IUPAC Name2-ethyl-6-methyl-N-[3-(trifluoromethyl)cyclohexyl]aniline
SMILESCCc1cccc(C)c1NC1CCCC(C(F)(F)F)C1
InChIInChI=1S/C16H22F3N/c1-3-12-7-4-6-11(2)15(12)20-14-9-5-8-13(10-14)16(17,18)19/h4,6-7,13-14,20H,3,5,8-10H2,1-2H3
InChIKeyQNJVQZMNHDNXEY-UHFFFAOYSA-N
XLogP5.09
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.35
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-cyclopentyl-2-ethyl-6-methylaniline
CID 60924694
N-(4-tert-butylcyclohexyl)-2-ethyl-6-methylaniline
CID 63448569
2-[[(R)-methylsulfinyl]methyl]-N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]aniline
CID 129381524
2-ethyl-N-(4-methoxycyclohexyl)-6-methylaniline
CID 113414373
N-(2-ethyl-6-methylphenyl)-2,3-dihydro-1H-inden-2-amine
CID 63448687
tert-butyl N-[3-(2-ethyl-6-methylanilino)cyclobutyl]carbamate
CID 103759544
2-(2-methoxyethyl)-N-[3-(trifluoromethyl)cyclohexyl]aniline
CID 102848912
N-(2,2-dimethylcyclohexyl)-2-ethyl-6-methylaniline
CID 79837088
2-ethoxy-4-methyl-N-[3-(trifluoromethyl)cyclohexyl]aniline
CID 64759426
N-(2-ethyl-6-methylphenyl)bicyclo[2.2.1]heptan-2-amine
CID 55193292
4-bromo-2-methoxy-6-methyl-N-[3-(trifluoromethyl)cyclohexyl]aniline
CID 64759226
4-(2-ethyl-6-methylanilino)piperidine-1-carboxamide
CID 54862221

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-methyl-N-[3-(trifluoromethyl)cyclohexyl]aniline?
The IUPAC name of 2-ethyl-6-methyl-N-[3-(trifluoromethyl)cyclohexyl]aniline (CID 64758818) is 2-ethyl-6-methyl-N-[3-(trifluoromethyl)cyclohexyl]aniline.
What is the SMILES notation for 2-ethyl-6-methyl-N-[3-(trifluoromethyl)cyclohexyl]aniline?
The canonical SMILES for 2-ethyl-6-methyl-N-[3-(trifluoromethyl)cyclohexyl]aniline is CCc1cccc(C)c1NC1CCCC(C(F)(F)F)C1.
What is the InChIKey of 2-ethyl-6-methyl-N-[3-(trifluoromethyl)cyclohexyl]aniline?
The InChIKey is QNJVQZMNHDNXEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3N/c1-3-12-7-4-6-11(2)15(12)20-14-9-5-8-13(10-14)16(17,18)19/h4,6-7,13-14,20H,3,5,8-10H2,1-2H3.
What are the key properties of 2-ethyl-6-methyl-N-[3-(trifluoromethyl)cyclohexyl]aniline?
2-ethyl-6-methyl-N-[3-(trifluoromethyl)cyclohexyl]aniline has a molecular weight of 285.35 g/mol, XLogP of 5.09, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-methyl-N-[3-(trifluoromethyl)cyclohexyl]aniline is sourced from PubChem (CID 64758818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).