2-(4-fluorophenyl)sulfanyl-3,5-dimethyl-N-propylcyclohexan-1-amine

C17H26FNS — CID 64735377

IUPAC2-(4-fluorophenyl)sulfanyl-3,5-dimethyl-N-propylcyclohexan-1-amine
SMILESCCCNC1CC(C)CC(C)C1Sc1ccc(F)cc1
InChIInChI=1S/C17H26FNS/c1-4-9-19-16-11-12(2)10-13(3)17(16)20-15-7-5-14(18)6-8-15/h5-8,12-13,16-17,19H,4,9-11H2,1-3H3
InChIKeyXWKXTOKQZIKUQB-UHFFFAOYSA-N
MW295.47 g/mol
LogP4.72
Rot. Bonds5

About 2-(4-fluorophenyl)sulfanyl-3,5-dimethyl-N-propylcyclohexan-1-amine

2-(4-fluorophenyl)sulfanyl-3,5-dimethyl-N-propylcyclohexan-1-amine (PubChem CID 64735377) has the molecular formula C17H26FNS and a molecular weight of 295.47 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfanyl-3,5-dimethyl-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfanyl-3,5-dimethyl-N-propylcyclohexan-1-amine
PubChem CID64735377
Molecular FormulaC17H26FNS
Molecular Weight295.47 g/mol
Exact Mass295.18
IUPAC Name2-(4-fluorophenyl)sulfanyl-3,5-dimethyl-N-propylcyclohexan-1-amine
SMILESCCCNC1CC(C)CC(C)C1Sc1ccc(F)cc1
InChIInChI=1S/C17H26FNS/c1-4-9-19-16-11-12(2)10-13(3)17(16)20-15-7-5-14(18)6-8-15/h5-8,12-13,16-17,19H,4,9-11H2,1-3H3
InChIKeyXWKXTOKQZIKUQB-UHFFFAOYSA-N
XLogP4.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfanyl-3,5-dimethyl-N-propylcyclohexan-1-amine?
The IUPAC name of 2-(4-fluorophenyl)sulfanyl-3,5-dimethyl-N-propylcyclohexan-1-amine (CID 64735377) is 2-(4-fluorophenyl)sulfanyl-3,5-dimethyl-N-propylcyclohexan-1-amine.
What is the SMILES notation for 2-(4-fluorophenyl)sulfanyl-3,5-dimethyl-N-propylcyclohexan-1-amine?
The canonical SMILES for 2-(4-fluorophenyl)sulfanyl-3,5-dimethyl-N-propylcyclohexan-1-amine is CCCNC1CC(C)CC(C)C1Sc1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)sulfanyl-3,5-dimethyl-N-propylcyclohexan-1-amine?
The InChIKey is XWKXTOKQZIKUQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FNS/c1-4-9-19-16-11-12(2)10-13(3)17(16)20-15-7-5-14(18)6-8-15/h5-8,12-13,16-17,19H,4,9-11H2,1-3H3.
What are the key properties of 2-(4-fluorophenyl)sulfanyl-3,5-dimethyl-N-propylcyclohexan-1-amine?
2-(4-fluorophenyl)sulfanyl-3,5-dimethyl-N-propylcyclohexan-1-amine has a molecular weight of 295.47 g/mol, XLogP of 4.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)sulfanyl-3,5-dimethyl-N-propylcyclohexan-1-amine is sourced from PubChem (CID 64735377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).