2-(2-fluorophenyl)sulfanyl-3,5-dimethylcyclohexan-1-amine

C14H20FNS — CID 64737154

IUPAC2-(2-fluorophenyl)sulfanyl-3,5-dimethylcyclohexan-1-amine
SMILESCC1CC(C)C(Sc2ccccc2F)C(N)C1
InChIInChI=1S/C14H20FNS/c1-9-7-10(2)14(12(16)8-9)17-13-6-4-3-5-11(13)15/h3-6,9-10,12,14H,7-8,16H2,1-2H3
InChIKeyWBOASNUSWSITBP-UHFFFAOYSA-N
MW253.39 g/mol
LogP3.68
Rot. Bonds2

About 2-(2-fluorophenyl)sulfanyl-3,5-dimethylcyclohexan-1-amine

2-(2-fluorophenyl)sulfanyl-3,5-dimethylcyclohexan-1-amine (PubChem CID 64737154) has the molecular formula C14H20FNS and a molecular weight of 253.39 g/mol. Its IUPAC name is 2-(2-fluorophenyl)sulfanyl-3,5-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(2-fluorophenyl)sulfanyl-3,5-dimethylcyclohexan-1-amine
PubChem CID64737154
Molecular FormulaC14H20FNS
Molecular Weight253.39 g/mol
Exact Mass253.13
IUPAC Name2-(2-fluorophenyl)sulfanyl-3,5-dimethylcyclohexan-1-amine
SMILESCC1CC(C)C(Sc2ccccc2F)C(N)C1
InChIInChI=1S/C14H20FNS/c1-9-7-10(2)14(12(16)8-9)17-13-6-4-3-5-11(13)15/h3-6,9-10,12,14H,7-8,16H2,1-2H3
InChIKeyWBOASNUSWSITBP-UHFFFAOYSA-N
XLogP3.68
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)sulfanyl-3,5-dimethylcyclohexan-1-amine?
The IUPAC name of 2-(2-fluorophenyl)sulfanyl-3,5-dimethylcyclohexan-1-amine (CID 64737154) is 2-(2-fluorophenyl)sulfanyl-3,5-dimethylcyclohexan-1-amine.
What is the SMILES notation for 2-(2-fluorophenyl)sulfanyl-3,5-dimethylcyclohexan-1-amine?
The canonical SMILES for 2-(2-fluorophenyl)sulfanyl-3,5-dimethylcyclohexan-1-amine is CC1CC(C)C(Sc2ccccc2F)C(N)C1.
What is the InChIKey of 2-(2-fluorophenyl)sulfanyl-3,5-dimethylcyclohexan-1-amine?
The InChIKey is WBOASNUSWSITBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNS/c1-9-7-10(2)14(12(16)8-9)17-13-6-4-3-5-11(13)15/h3-6,9-10,12,14H,7-8,16H2,1-2H3.
What are the key properties of 2-(2-fluorophenyl)sulfanyl-3,5-dimethylcyclohexan-1-amine?
2-(2-fluorophenyl)sulfanyl-3,5-dimethylcyclohexan-1-amine has a molecular weight of 253.39 g/mol, XLogP of 3.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)sulfanyl-3,5-dimethylcyclohexan-1-amine is sourced from PubChem (CID 64737154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).