3-[[4-(trifluoromethylsulfanyl)phenyl]methylamino]cyclohexan-1-ol

C14H18F3NOS — CID 43751195

IUPAC3-[[4-(trifluoromethylsulfanyl)phenyl]methylamino]cyclohexan-1-ol
SMILESOC1CCCC(NCc2ccc(SC(F)(F)F)cc2)C1
InChIInChI=1S/C14H18F3NOS/c15-14(16,17)20-13-6-4-10(5-7-13)9-18-11-2-1-3-12(19)8-11/h4-7,11-12,18-19H,1-3,8-9H2
InChIKeySOTSUIPEMCUYHH-UHFFFAOYSA-N
MW305.37 g/mol
LogP3.69
Rot. Bonds4

About 3-[[4-(trifluoromethylsulfanyl)phenyl]methylamino]cyclohexan-1-ol

3-[[4-(trifluoromethylsulfanyl)phenyl]methylamino]cyclohexan-1-ol (PubChem CID 43751195) has the molecular formula C14H18F3NOS and a molecular weight of 305.37 g/mol. Its IUPAC name is 3-[[4-(trifluoromethylsulfanyl)phenyl]methylamino]cyclohexan-1-ol.

Molecular Properties

Compound Name3-[[4-(trifluoromethylsulfanyl)phenyl]methylamino]cyclohexan-1-ol
PubChem CID43751195
Molecular FormulaC14H18F3NOS
Molecular Weight305.37 g/mol
Exact Mass305.11
IUPAC Name3-[[4-(trifluoromethylsulfanyl)phenyl]methylamino]cyclohexan-1-ol
SMILESOC1CCCC(NCc2ccc(SC(F)(F)F)cc2)C1
InChIInChI=1S/C14H18F3NOS/c15-14(16,17)20-13-6-4-10(5-7-13)9-18-11-2-1-3-12(19)8-11/h4-7,11-12,18-19H,1-3,8-9H2
InChIKeySOTSUIPEMCUYHH-UHFFFAOYSA-N
XLogP3.69
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[4-(trifluoromethylsulfanyl)phenyl]methylamino]cyclohexan-1-ol
CID 62365258
3-[[[4-(trifluoromethylsulfanyl)phenyl]methylamino]methyl]cyclopentan-1-ol
CID 103270930
4-[[4-(trifluoromethylsulfanyl)phenyl]methylamino]pyrrolidin-2-one
CID 106181631
3-(1H-indol-5-ylmethylamino)cyclohexan-1-ol
CID 102909895
3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethylamino)cyclohexan-1-ol
CID 60870118
N-[[4-(trifluoromethyl)phenyl]methyl]cyclopentanamine
CID 4264836
2,6-dichloro-4-[[[(1S,3R)-3-hydroxycyclohexyl]amino]methyl]phenol
CID 149151176
2-ethoxy-4-[[[(1S,3R)-3-hydroxycyclohexyl]amino]methyl]phenol
CID 155509277
3-[(2,5-difluorophenyl)methylamino]cyclohexan-1-ol
CID 43751094
3-[(1-tert-butylpyrazol-4-yl)methylamino]cyclohexan-1-ol
CID 43792359
N-[(4-methylsulfanylphenyl)methyl]cycloheptanamine
CID 4722425
2,2-difluoro-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]ethanamine
CID 115405900

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(trifluoromethylsulfanyl)phenyl]methylamino]cyclohexan-1-ol?
The IUPAC name of 3-[[4-(trifluoromethylsulfanyl)phenyl]methylamino]cyclohexan-1-ol (CID 43751195) is 3-[[4-(trifluoromethylsulfanyl)phenyl]methylamino]cyclohexan-1-ol.
What is the SMILES notation for 3-[[4-(trifluoromethylsulfanyl)phenyl]methylamino]cyclohexan-1-ol?
The canonical SMILES for 3-[[4-(trifluoromethylsulfanyl)phenyl]methylamino]cyclohexan-1-ol is OC1CCCC(NCc2ccc(SC(F)(F)F)cc2)C1.
What is the InChIKey of 3-[[4-(trifluoromethylsulfanyl)phenyl]methylamino]cyclohexan-1-ol?
The InChIKey is SOTSUIPEMCUYHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NOS/c15-14(16,17)20-13-6-4-10(5-7-13)9-18-11-2-1-3-12(19)8-11/h4-7,11-12,18-19H,1-3,8-9H2.
What are the key properties of 3-[[4-(trifluoromethylsulfanyl)phenyl]methylamino]cyclohexan-1-ol?
3-[[4-(trifluoromethylsulfanyl)phenyl]methylamino]cyclohexan-1-ol has a molecular weight of 305.37 g/mol, XLogP of 3.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(trifluoromethylsulfanyl)phenyl]methylamino]cyclohexan-1-ol is sourced from PubChem (CID 43751195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).