2-(4-fluorophenyl)sulfanyl-4-propan-2-ylcyclohexan-1-amine

C15H22FNS — CID 64621286

IUPAC2-(4-fluorophenyl)sulfanyl-4-propan-2-ylcyclohexan-1-amine
SMILESCC(C)C1CCC(N)C(Sc2ccc(F)cc2)C1
InChIInChI=1S/C15H22FNS/c1-10(2)11-3-8-14(17)15(9-11)18-13-6-4-12(16)5-7-13/h4-7,10-11,14-15H,3,8-9,17H2,1-2H3
InChIKeyVBPKEJVFNAPKGU-UHFFFAOYSA-N
MW267.41 g/mol
LogP4.07
Rot. Bonds3

About 2-(4-fluorophenyl)sulfanyl-4-propan-2-ylcyclohexan-1-amine

2-(4-fluorophenyl)sulfanyl-4-propan-2-ylcyclohexan-1-amine (PubChem CID 64621286) has the molecular formula C15H22FNS and a molecular weight of 267.41 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfanyl-4-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfanyl-4-propan-2-ylcyclohexan-1-amine
PubChem CID64621286
Molecular FormulaC15H22FNS
Molecular Weight267.41 g/mol
Exact Mass267.15
IUPAC Name2-(4-fluorophenyl)sulfanyl-4-propan-2-ylcyclohexan-1-amine
SMILESCC(C)C1CCC(N)C(Sc2ccc(F)cc2)C1
InChIInChI=1S/C15H22FNS/c1-10(2)11-3-8-14(17)15(9-11)18-13-6-4-12(16)5-7-13/h4-7,10-11,14-15H,3,8-9,17H2,1-2H3
InChIKeyVBPKEJVFNAPKGU-UHFFFAOYSA-N
XLogP4.07
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 54.07
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-4-propan-2-ylcyclohexan-1-amine?
The IUPAC name of 2-(4-fluorophenyl)sulfanyl-4-propan-2-ylcyclohexan-1-amine (CID 64621286) is 2-(4-fluorophenyl)sulfanyl-4-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for 2-(4-fluorophenyl)sulfanyl-4-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for 2-(4-fluorophenyl)sulfanyl-4-propan-2-ylcyclohexan-1-amine is CC(C)C1CCC(N)C(Sc2ccc(F)cc2)C1.
What is the InChIKey of 2-(4-fluorophenyl)sulfanyl-4-propan-2-ylcyclohexan-1-amine?
The InChIKey is VBPKEJVFNAPKGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNS/c1-10(2)11-3-8-14(17)15(9-11)18-13-6-4-12(16)5-7-13/h4-7,10-11,14-15H,3,8-9,17H2,1-2H3.
What are the key properties of 2-(4-fluorophenyl)sulfanyl-4-propan-2-ylcyclohexan-1-amine?
2-(4-fluorophenyl)sulfanyl-4-propan-2-ylcyclohexan-1-amine has a molecular weight of 267.41 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)sulfanyl-4-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 64621286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).