4-(difluoromethylsulfanyl)-N-(2-methoxycyclohexyl)aniline

C14H19F2NOS — CID 43779025

IUPAC4-(difluoromethylsulfanyl)-N-(2-methoxycyclohexyl)aniline
SMILESCOC1CCCCC1Nc1ccc(SC(F)F)cc1
InChIInChI=1S/C14H19F2NOS/c1-18-13-5-3-2-4-12(13)17-10-6-8-11(9-7-10)19-14(15)16/h6-9,12-14,17H,2-5H2,1H3
InChIKeyHJVGGARLZKRBII-UHFFFAOYSA-N
MW287.37 g/mol
LogP4.37
Rot. Bonds5

About 4-(difluoromethylsulfanyl)-N-(2-methoxycyclohexyl)aniline

4-(difluoromethylsulfanyl)-N-(2-methoxycyclohexyl)aniline (PubChem CID 43779025) has the molecular formula C14H19F2NOS and a molecular weight of 287.37 g/mol. Its IUPAC name is 4-(difluoromethylsulfanyl)-N-(2-methoxycyclohexyl)aniline.

Molecular Properties

Compound Name4-(difluoromethylsulfanyl)-N-(2-methoxycyclohexyl)aniline
PubChem CID43779025
Molecular FormulaC14H19F2NOS
Molecular Weight287.37 g/mol
Exact Mass287.12
IUPAC Name4-(difluoromethylsulfanyl)-N-(2-methoxycyclohexyl)aniline
SMILESCOC1CCCCC1Nc1ccc(SC(F)F)cc1
InChIInChI=1S/C14H19F2NOS/c1-18-13-5-3-2-4-12(13)17-10-6-8-11(9-7-10)19-14(15)16/h6-9,12-14,17H,2-5H2,1H3
InChIKeyHJVGGARLZKRBII-UHFFFAOYSA-N
XLogP4.37
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 54.37
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-(Tert-butyl-dimethyl-silyloxy)-cyclohexyl]-(4-trifluoromethylsulfanyl-phenyl)-amine
CID 66852003
trans-4-(4-Trifluoromethylsulfanyl-phenylamino)-cyclohexanol
CID 66852287
2-fluoro-N-(2-methoxyethyl)-4-(trifluoromethylsulfanyl)aniline
CID 91581358
4-(2-Fluoro-4-methylsulfanylphenyl)-2,6-dimethylmorpholine
CID 139470925
2-(Difluoromethoxy)-2-(4-methylsulfanylanilino)acetonitrile
CID 139752141
N-[4-[tert-butyl(dimethyl)-lambda4-sulfanyl]oxycyclohexyl]-4-(trifluoromethylsulfanyl)aniline
CID 143820626
N-(4-methoxycyclohexyl)-4-(trifluoromethylsulfonyl)aniline
CID 146532141
[2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethyl]-[(2R)-1-methoxypropan-2-yl]azanium
CID 2425771
N-[4-(difluoromethylsulfanyl)phenyl]-2-[[(2R)-1-methoxypropan-2-yl]amino]acetamide
CID 2425772

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethylsulfanyl)-N-(2-methoxycyclohexyl)aniline?
The IUPAC name of 4-(difluoromethylsulfanyl)-N-(2-methoxycyclohexyl)aniline (CID 43779025) is 4-(difluoromethylsulfanyl)-N-(2-methoxycyclohexyl)aniline.
What is the SMILES notation for 4-(difluoromethylsulfanyl)-N-(2-methoxycyclohexyl)aniline?
The canonical SMILES for 4-(difluoromethylsulfanyl)-N-(2-methoxycyclohexyl)aniline is COC1CCCCC1Nc1ccc(SC(F)F)cc1.
What is the InChIKey of 4-(difluoromethylsulfanyl)-N-(2-methoxycyclohexyl)aniline?
The InChIKey is HJVGGARLZKRBII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NOS/c1-18-13-5-3-2-4-12(13)17-10-6-8-11(9-7-10)19-14(15)16/h6-9,12-14,17H,2-5H2,1H3.
What are the key properties of 4-(difluoromethylsulfanyl)-N-(2-methoxycyclohexyl)aniline?
4-(difluoromethylsulfanyl)-N-(2-methoxycyclohexyl)aniline has a molecular weight of 287.37 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethylsulfanyl)-N-(2-methoxycyclohexyl)aniline is sourced from PubChem (CID 43779025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).