2-ethylsulfanyl-N-[2-(trifluoromethyl)cyclohexyl]aniline

C15H20F3NS — CID 64757471

IUPAC2-ethylsulfanyl-N-[2-(trifluoromethyl)cyclohexyl]aniline
SMILESCCSc1ccccc1NC1CCCCC1C(F)(F)F
InChIInChI=1S/C15H20F3NS/c1-2-20-14-10-6-5-9-13(14)19-12-8-4-3-7-11(12)15(16,17)18/h5-6,9-12,19H,2-4,7-8H2,1H3
InChIKeyAHCOXMIOZOYCSG-UHFFFAOYSA-N
MW303.39 g/mol
LogP5.33
Rot. Bonds4

About 2-ethylsulfanyl-N-[2-(trifluoromethyl)cyclohexyl]aniline

2-ethylsulfanyl-N-[2-(trifluoromethyl)cyclohexyl]aniline (PubChem CID 64757471) has the molecular formula C15H20F3NS and a molecular weight of 303.39 g/mol. Its IUPAC name is 2-ethylsulfanyl-N-[2-(trifluoromethyl)cyclohexyl]aniline.

Molecular Properties

Compound Name2-ethylsulfanyl-N-[2-(trifluoromethyl)cyclohexyl]aniline
PubChem CID64757471
Molecular FormulaC15H20F3NS
Molecular Weight303.39 g/mol
Exact Mass303.13
IUPAC Name2-ethylsulfanyl-N-[2-(trifluoromethyl)cyclohexyl]aniline
SMILESCCSc1ccccc1NC1CCCCC1C(F)(F)F
InChIInChI=1S/C15H20F3NS/c1-2-20-14-10-6-5-9-13(14)19-12-8-4-3-7-11(12)15(16,17)18/h5-6,9-12,19H,2-4,7-8H2,1H3
InChIKeyAHCOXMIOZOYCSG-UHFFFAOYSA-N
XLogP5.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.39
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-ethylsulfanyl-N-[2-(trifluoromethyl)cyclohexyl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-prop-2-enylsulfanyl-N-[2-(trifluoromethyl)cyclohexyl]aniline
CID 64756866
2-(2-methoxyethyl)-N-[2-(trifluoromethyl)cyclohexyl]aniline
CID 102903890
4-ethyl-N-(2-ethylsulfanylphenyl)cycloheptan-1-amine
CID 65083155
N-(2-ethylsulfanylphenyl)oxolan-3-amine
CID 63335369
N-(2-ethylsulfanylphenyl)pyrrolidin-3-amine
CID 79731060
2-methyl-6-[[2-(trifluoromethyl)cyclohexyl]amino]benzonitrile
CID 107803664
N-(2-ethylsulfanylphenyl)cyclopentanecarboxamide
CID 94624117
4-chloro-2-methyl-N-[2-(trifluoromethyl)cyclohexyl]aniline
CID 64758056
N-(dicyclopropylmethyl)-2-ethylsulfanylaniline
CID 54865167
N-(3,5-dimethylcyclohexyl)-2-(2,2,2-trifluoroethylsulfanyl)aniline
CID 64751545
4-(2-ethylsulfanylanilino)azepan-2-one
CID 63887912
N-(2,3-dimethylcyclohexyl)-2-(trifluoromethylsulfanyl)aniline
CID 64762204

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-N-[2-(trifluoromethyl)cyclohexyl]aniline?
The IUPAC name of 2-ethylsulfanyl-N-[2-(trifluoromethyl)cyclohexyl]aniline (CID 64757471) is 2-ethylsulfanyl-N-[2-(trifluoromethyl)cyclohexyl]aniline.
What is the SMILES notation for 2-ethylsulfanyl-N-[2-(trifluoromethyl)cyclohexyl]aniline?
The canonical SMILES for 2-ethylsulfanyl-N-[2-(trifluoromethyl)cyclohexyl]aniline is CCSc1ccccc1NC1CCCCC1C(F)(F)F.
What is the InChIKey of 2-ethylsulfanyl-N-[2-(trifluoromethyl)cyclohexyl]aniline?
The InChIKey is AHCOXMIOZOYCSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3NS/c1-2-20-14-10-6-5-9-13(14)19-12-8-4-3-7-11(12)15(16,17)18/h5-6,9-12,19H,2-4,7-8H2,1H3.
What are the key properties of 2-ethylsulfanyl-N-[2-(trifluoromethyl)cyclohexyl]aniline?
2-ethylsulfanyl-N-[2-(trifluoromethyl)cyclohexyl]aniline has a molecular weight of 303.39 g/mol, XLogP of 5.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-N-[2-(trifluoromethyl)cyclohexyl]aniline is sourced from PubChem (CID 64757471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).