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

C14H18F3NOS — CID 103270930

IUPAC3-[[[4-(trifluoromethylsulfanyl)phenyl]methylamino]methyl]cyclopentan-1-ol
SMILESOC1CCC(CNCc2ccc(SC(F)(F)F)cc2)C1
InChIInChI=1S/C14H18F3NOS/c15-14(16,17)20-13-5-2-10(3-6-13)8-18-9-11-1-4-12(19)7-11/h2-3,5-6,11-12,18-19H,1,4,7-9H2
InChIKeyLCQRMADTJKATPF-UHFFFAOYSA-N
MW305.37 g/mol
LogP3.55
Rot. Bonds5

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

3-[[[4-(trifluoromethylsulfanyl)phenyl]methylamino]methyl]cyclopentan-1-ol (PubChem CID 103270930) has the molecular formula C14H18F3NOS and a molecular weight of 305.37 g/mol. Its IUPAC name is 3-[[[4-(trifluoromethylsulfanyl)phenyl]methylamino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name3-[[[4-(trifluoromethylsulfanyl)phenyl]methylamino]methyl]cyclopentan-1-ol
PubChem CID103270930
Molecular FormulaC14H18F3NOS
Molecular Weight305.37 g/mol
Exact Mass305.11
IUPAC Name3-[[[4-(trifluoromethylsulfanyl)phenyl]methylamino]methyl]cyclopentan-1-ol
SMILESOC1CCC(CNCc2ccc(SC(F)(F)F)cc2)C1
InChIInChI=1S/C14H18F3NOS/c15-14(16,17)20-13-5-2-10(3-6-13)8-18-9-11-1-4-12(19)7-11/h2-3,5-6,11-12,18-19H,1,4,7-9H2
InChIKeyLCQRMADTJKATPF-UHFFFAOYSA-N
XLogP3.55
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[(4-fluorophenyl)methylamino]methyl]cyclopentan-1-ol
CID 103270748
3-[[4-(trifluoromethylsulfanyl)phenyl]methylamino]cyclohexan-1-ol
CID 43751195
3-[[(4-methylsulfanylphenyl)methylamino]methyl]cyclohexan-1-ol
CID 103699915
2,2-difluoro-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]ethanamine
CID 115405900
2-[[4-(trifluoromethylsulfanyl)phenyl]methylamino]cyclohexan-1-ol
CID 62365258
3-[[(4-iodophenyl)methylamino]methyl]cyclohexan-1-ol
CID 106132031
3-[[(4-chlorophenyl)methylamino]methyl]cyclohexan-1-ol
CID 103699808
2-methylsulfanyl-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]ethanamine
CID 60699399
2-methyl-1-[[4-(trifluoromethylsulfanyl)phenyl]methylamino]propan-2-ol
CID 63933936
3-[[(3,5-dimethylphenyl)methylamino]methyl]cyclopentan-1-ol
CID 103270774
3-[[(3-methylphenyl)methylamino]methyl]cyclopentan-1-ol
CID 103270659
3-[[(2-fluorophenyl)methylamino]methyl]cyclopentan-1-ol
CID 103270976

Frequently Asked Questions

What is the IUPAC name of 3-[[[4-(trifluoromethylsulfanyl)phenyl]methylamino]methyl]cyclopentan-1-ol?
The IUPAC name of 3-[[[4-(trifluoromethylsulfanyl)phenyl]methylamino]methyl]cyclopentan-1-ol (CID 103270930) is 3-[[[4-(trifluoromethylsulfanyl)phenyl]methylamino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 3-[[[4-(trifluoromethylsulfanyl)phenyl]methylamino]methyl]cyclopentan-1-ol?
The canonical SMILES for 3-[[[4-(trifluoromethylsulfanyl)phenyl]methylamino]methyl]cyclopentan-1-ol is OC1CCC(CNCc2ccc(SC(F)(F)F)cc2)C1.
What is the InChIKey of 3-[[[4-(trifluoromethylsulfanyl)phenyl]methylamino]methyl]cyclopentan-1-ol?
The InChIKey is LCQRMADTJKATPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NOS/c15-14(16,17)20-13-5-2-10(3-6-13)8-18-9-11-1-4-12(19)7-11/h2-3,5-6,11-12,18-19H,1,4,7-9H2.
What are the key properties of 3-[[[4-(trifluoromethylsulfanyl)phenyl]methylamino]methyl]cyclopentan-1-ol?
3-[[[4-(trifluoromethylsulfanyl)phenyl]methylamino]methyl]cyclopentan-1-ol has a molecular weight of 305.37 g/mol, XLogP of 3.55, 5 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]methyl]cyclopentan-1-ol is sourced from PubChem (CID 103270930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).