2-(2-fluorophenyl)sulfanyl-N,4-dimethylcyclohexan-1-amine

C14H20FNS — CID 64619503

IUPAC2-(2-fluorophenyl)sulfanyl-N,4-dimethylcyclohexan-1-amine
SMILESCNC1CCC(C)CC1Sc1ccccc1F
InChIInChI=1S/C14H20FNS/c1-10-7-8-12(16-2)14(9-10)17-13-6-4-3-5-11(13)15/h3-6,10,12,14,16H,7-9H2,1-2H3
InChIKeyPYEZIFNDZFYDNQ-UHFFFAOYSA-N
MW253.39 g/mol
LogP3.69
Rot. Bonds3

About 2-(2-fluorophenyl)sulfanyl-N,4-dimethylcyclohexan-1-amine

2-(2-fluorophenyl)sulfanyl-N,4-dimethylcyclohexan-1-amine (PubChem CID 64619503) has the molecular formula C14H20FNS and a molecular weight of 253.39 g/mol. Its IUPAC name is 2-(2-fluorophenyl)sulfanyl-N,4-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(2-fluorophenyl)sulfanyl-N,4-dimethylcyclohexan-1-amine
PubChem CID64619503
Molecular FormulaC14H20FNS
Molecular Weight253.39 g/mol
Exact Mass253.13
IUPAC Name2-(2-fluorophenyl)sulfanyl-N,4-dimethylcyclohexan-1-amine
SMILESCNC1CCC(C)CC1Sc1ccccc1F
InChIInChI=1S/C14H20FNS/c1-10-7-8-12(16-2)14(9-10)17-13-6-4-3-5-11(13)15/h3-6,10,12,14,16H,7-9H2,1-2H3
InChIKeyPYEZIFNDZFYDNQ-UHFFFAOYSA-N
XLogP3.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 53.69
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-N,4-dimethylcyclohexan-1-amine?
The IUPAC name of 2-(2-fluorophenyl)sulfanyl-N,4-dimethylcyclohexan-1-amine (CID 64619503) is 2-(2-fluorophenyl)sulfanyl-N,4-dimethylcyclohexan-1-amine.
What is the SMILES notation for 2-(2-fluorophenyl)sulfanyl-N,4-dimethylcyclohexan-1-amine?
The canonical SMILES for 2-(2-fluorophenyl)sulfanyl-N,4-dimethylcyclohexan-1-amine is CNC1CCC(C)CC1Sc1ccccc1F.
What is the InChIKey of 2-(2-fluorophenyl)sulfanyl-N,4-dimethylcyclohexan-1-amine?
The InChIKey is PYEZIFNDZFYDNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNS/c1-10-7-8-12(16-2)14(9-10)17-13-6-4-3-5-11(13)15/h3-6,10,12,14,16H,7-9H2,1-2H3.
What are the key properties of 2-(2-fluorophenyl)sulfanyl-N,4-dimethylcyclohexan-1-amine?
2-(2-fluorophenyl)sulfanyl-N,4-dimethylcyclohexan-1-amine has a molecular weight of 253.39 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)sulfanyl-N,4-dimethylcyclohexan-1-amine is sourced from PubChem (CID 64619503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).