[2-(2,4-difluorophenyl)sulfanyl-4-propylcyclohexyl]methanamine

C16H23F2NS — CID 43529894

IUPAC[2-(2,4-difluorophenyl)sulfanyl-4-propylcyclohexyl]methanamine
SMILESCCCC1CCC(CN)C(Sc2ccc(F)cc2F)C1
InChIInChI=1S/C16H23F2NS/c1-2-3-11-4-5-12(10-19)16(8-11)20-15-7-6-13(17)9-14(15)18/h6-7,9,11-12,16H,2-5,8,10,19H2,1H3
InChIKeyHIZCSITZUJFYBD-UHFFFAOYSA-N
MW299.43 g/mol
LogP4.60
Rot. Bonds5

About [2-(2,4-difluorophenyl)sulfanyl-4-propylcyclohexyl]methanamine

[2-(2,4-difluorophenyl)sulfanyl-4-propylcyclohexyl]methanamine (PubChem CID 43529894) has the molecular formula C16H23F2NS and a molecular weight of 299.43 g/mol. Its IUPAC name is [2-(2,4-difluorophenyl)sulfanyl-4-propylcyclohexyl]methanamine.

Molecular Properties

Compound Name[2-(2,4-difluorophenyl)sulfanyl-4-propylcyclohexyl]methanamine
PubChem CID43529894
Molecular FormulaC16H23F2NS
Molecular Weight299.43 g/mol
Exact Mass299.15
IUPAC Name[2-(2,4-difluorophenyl)sulfanyl-4-propylcyclohexyl]methanamine
SMILESCCCC1CCC(CN)C(Sc2ccc(F)cc2F)C1
InChIInChI=1S/C16H23F2NS/c1-2-3-11-4-5-12(10-19)16(8-11)20-15-7-6-13(17)9-14(15)18/h6-7,9,11-12,16H,2-5,8,10,19H2,1H3
InChIKeyHIZCSITZUJFYBD-UHFFFAOYSA-N
XLogP4.60
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.43
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-(2,4-difluorophenyl)sulfanyl-4-propylcyclohexyl]methanamine?
The IUPAC name of [2-(2,4-difluorophenyl)sulfanyl-4-propylcyclohexyl]methanamine (CID 43529894) is [2-(2,4-difluorophenyl)sulfanyl-4-propylcyclohexyl]methanamine.
What is the SMILES notation for [2-(2,4-difluorophenyl)sulfanyl-4-propylcyclohexyl]methanamine?
The canonical SMILES for [2-(2,4-difluorophenyl)sulfanyl-4-propylcyclohexyl]methanamine is CCCC1CCC(CN)C(Sc2ccc(F)cc2F)C1.
What is the InChIKey of [2-(2,4-difluorophenyl)sulfanyl-4-propylcyclohexyl]methanamine?
The InChIKey is HIZCSITZUJFYBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2NS/c1-2-3-11-4-5-12(10-19)16(8-11)20-15-7-6-13(17)9-14(15)18/h6-7,9,11-12,16H,2-5,8,10,19H2,1H3.
What are the key properties of [2-(2,4-difluorophenyl)sulfanyl-4-propylcyclohexyl]methanamine?
[2-(2,4-difluorophenyl)sulfanyl-4-propylcyclohexyl]methanamine has a molecular weight of 299.43 g/mol, XLogP of 4.60, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,4-difluorophenyl)sulfanyl-4-propylcyclohexyl]methanamine is sourced from PubChem (CID 43529894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).