2-[[4-(trifluoromethylsulfanyl)phenyl]methylamino]cyclohexan-1-ol

C14H18F3NOS — CID 62365258

IUPAC2-[[4-(trifluoromethylsulfanyl)phenyl]methylamino]cyclohexan-1-ol
SMILESOC1CCCCC1NCc1ccc(SC(F)(F)F)cc1
InChIInChI=1S/C14H18F3NOS/c15-14(16,17)20-11-7-5-10(6-8-11)9-18-12-3-1-2-4-13(12)19/h5-8,12-13,18-19H,1-4,9H2
InChIKeyUDBLNKWMZORIJP-UHFFFAOYSA-N
MW305.37 g/mol
LogP3.69
Rot. Bonds4

About 2-[[4-(trifluoromethylsulfanyl)phenyl]methylamino]cyclohexan-1-ol

2-[[4-(trifluoromethylsulfanyl)phenyl]methylamino]cyclohexan-1-ol (PubChem CID 62365258) has the molecular formula C14H18F3NOS and a molecular weight of 305.37 g/mol. Its IUPAC name is 2-[[4-(trifluoromethylsulfanyl)phenyl]methylamino]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[[4-(trifluoromethylsulfanyl)phenyl]methylamino]cyclohexan-1-ol
PubChem CID62365258
Molecular FormulaC14H18F3NOS
Molecular Weight305.37 g/mol
Exact Mass305.11
IUPAC Name2-[[4-(trifluoromethylsulfanyl)phenyl]methylamino]cyclohexan-1-ol
SMILESOC1CCCCC1NCc1ccc(SC(F)(F)F)cc1
InChIInChI=1S/C14H18F3NOS/c15-14(16,17)20-11-7-5-10(6-8-11)9-18-12-3-1-2-4-13(12)19/h5-8,12-13,18-19H,1-4,9H2
InChIKeyUDBLNKWMZORIJP-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

3-[[4-(trifluoromethylsulfanyl)phenyl]methylamino]cyclohexan-1-ol
CID 43751195
2-[(4-methylphenyl)methylamino]cyclohexan-1-ol
CID 60714627
2-[(4-ethylphenyl)methylamino]cyclohexan-1-ol
CID 60612614
(1R)-2-(benzylamino)cyclohexan-1-ol
CID 67149916
2-[(4-chlorophenyl)methylamino]cycloheptan-1-ol
CID 60901146
cis-(1S,2R)-2-(benzylamino)cyclooctan-1-ol
CID 129411683
trans-(1R,2R)-2-[(4-propan-2-ylphenyl)methylamino]cyclohexan-1-ol
CID 104923295
cis-(1S,2R)-2-[(4-methoxyphenyl)methylamino]cyclohexan-1-ol
CID 39345640
cis-(1R,2S)-2-[(4-methoxyphenyl)methylamino]cyclohexan-1-ol
CID 93317511
2-[(4-piperidin-1-ylphenyl)methylamino]cyclohexan-1-ol
CID 60612219
trans-(1R,2R)-1-N,2-N-bis[(4-fluorophenyl)methyl]cyclohexane-1,2-diamine
CID 18660068
4-[[4-(trifluoromethylsulfanyl)phenyl]methylamino]pyrrolidin-2-one
CID 106181631

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(trifluoromethylsulfanyl)phenyl]methylamino]cyclohexan-1-ol?
The IUPAC name of 2-[[4-(trifluoromethylsulfanyl)phenyl]methylamino]cyclohexan-1-ol (CID 62365258) is 2-[[4-(trifluoromethylsulfanyl)phenyl]methylamino]cyclohexan-1-ol.
What is the SMILES notation for 2-[[4-(trifluoromethylsulfanyl)phenyl]methylamino]cyclohexan-1-ol?
The canonical SMILES for 2-[[4-(trifluoromethylsulfanyl)phenyl]methylamino]cyclohexan-1-ol is OC1CCCCC1NCc1ccc(SC(F)(F)F)cc1.
What is the InChIKey of 2-[[4-(trifluoromethylsulfanyl)phenyl]methylamino]cyclohexan-1-ol?
The InChIKey is UDBLNKWMZORIJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NOS/c15-14(16,17)20-11-7-5-10(6-8-11)9-18-12-3-1-2-4-13(12)19/h5-8,12-13,18-19H,1-4,9H2.
What are the key properties of 2-[[4-(trifluoromethylsulfanyl)phenyl]methylamino]cyclohexan-1-ol?
2-[[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 2-[[4-(trifluoromethylsulfanyl)phenyl]methylamino]cyclohexan-1-ol is sourced from PubChem (CID 62365258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).