N-(2-methoxycyclohexyl)-2-(trifluoromethylsulfanyl)aniline

C14H18F3NOS — CID 43779620

IUPACN-(2-methoxycyclohexyl)-2-(trifluoromethylsulfanyl)aniline
SMILESCOC1CCCCC1Nc1ccccc1SC(F)(F)F
InChIInChI=1S/C14H18F3NOS/c1-19-12-8-4-2-6-10(12)18-11-7-3-5-9-13(11)20-14(15,16)17/h3,5,7,9-10,12,18H,2,4,6,8H2,1H3
InChIKeyZWQQLULVFHAANE-UHFFFAOYSA-N
MW305.37 g/mol
LogP4.67
Rot. Bonds4

About N-(2-methoxycyclohexyl)-2-(trifluoromethylsulfanyl)aniline

N-(2-methoxycyclohexyl)-2-(trifluoromethylsulfanyl)aniline (PubChem CID 43779620) has the molecular formula C14H18F3NOS and a molecular weight of 305.37 g/mol. Its IUPAC name is N-(2-methoxycyclohexyl)-2-(trifluoromethylsulfanyl)aniline.

Molecular Properties

Compound NameN-(2-methoxycyclohexyl)-2-(trifluoromethylsulfanyl)aniline
PubChem CID43779620
Molecular FormulaC14H18F3NOS
Molecular Weight305.37 g/mol
Exact Mass305.11
IUPAC NameN-(2-methoxycyclohexyl)-2-(trifluoromethylsulfanyl)aniline
SMILESCOC1CCCCC1Nc1ccccc1SC(F)(F)F
InChIInChI=1S/C14H18F3NOS/c1-19-12-8-4-2-6-10(12)18-11-7-3-5-9-13(11)20-14(15,16)17/h3,5,7,9-10,12,18H,2,4,6,8H2,1H3
InChIKeyZWQQLULVFHAANE-UHFFFAOYSA-N
XLogP4.67
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methoxycyclohexyl)-3-(methylsulfanyl)aniline
CID 2851334
N-(2-methoxycyclohexyl)aniline
CID 2851809
4-[4-(1,1-Difluoroethylsulfanyl)anilino]cyclohexan-1-ol
CID 58118135
trans-4-(4-Trifluoromethylsulfanyl-phenylamino)-cyclohexanol
CID 66852287
2-fluoro-N-(2-methoxyethyl)-4-(trifluoromethylsulfanyl)aniline
CID 91581358
N-[4-[tert-butyl(dimethyl)-lambda4-sulfanyl]oxycyclohexyl]-4-(trifluoromethylsulfanyl)aniline
CID 143820626
N-(4-methoxycyclohexyl)-4-(trifluoromethylsulfonyl)aniline
CID 146532141
2-fluoro-N-[(1R,2R)-2-methoxycyclohexyl]aniline
CID 11042337
N-cyclohexyl-2-(difluoromethylsulfanyl)aniline
CID 28517752
2-(difluoromethylsulfanyl)-N-(2-methoxyethyl)aniline
CID 28573624
2-(difluoromethylsulfanyl)-N-(2-morpholin-4-ylethyl)aniline
CID 28573655
2-[2-(Difluoromethylsulfanyl)anilino]ethanol
CID 28573658

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxycyclohexyl)-2-(trifluoromethylsulfanyl)aniline?
The IUPAC name of N-(2-methoxycyclohexyl)-2-(trifluoromethylsulfanyl)aniline (CID 43779620) is N-(2-methoxycyclohexyl)-2-(trifluoromethylsulfanyl)aniline.
What is the SMILES notation for N-(2-methoxycyclohexyl)-2-(trifluoromethylsulfanyl)aniline?
The canonical SMILES for N-(2-methoxycyclohexyl)-2-(trifluoromethylsulfanyl)aniline is COC1CCCCC1Nc1ccccc1SC(F)(F)F.
What is the InChIKey of N-(2-methoxycyclohexyl)-2-(trifluoromethylsulfanyl)aniline?
The InChIKey is ZWQQLULVFHAANE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NOS/c1-19-12-8-4-2-6-10(12)18-11-7-3-5-9-13(11)20-14(15,16)17/h3,5,7,9-10,12,18H,2,4,6,8H2,1H3.
What are the key properties of N-(2-methoxycyclohexyl)-2-(trifluoromethylsulfanyl)aniline?
N-(2-methoxycyclohexyl)-2-(trifluoromethylsulfanyl)aniline has a molecular weight of 305.37 g/mol, XLogP of 4.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxycyclohexyl)-2-(trifluoromethylsulfanyl)aniline is sourced from PubChem (CID 43779620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).