1-(4-fluorophenyl)-2-(3-methylsulfonylcyclohexyl)propan-2-amine

C16H24FNO2S — CID 114833893

IUPAC1-(4-fluorophenyl)-2-(3-methylsulfonylcyclohexyl)propan-2-amine
SMILESCC(N)(Cc1ccc(F)cc1)C1CCCC(S(C)(=O)=O)C1
InChIInChI=1S/C16H24FNO2S/c1-16(18,11-12-6-8-14(17)9-7-12)13-4-3-5-15(10-13)21(2,19)20/h6-9,13,15H,3-5,10-11,18H2,1-2H3
InChIKeyXLEYTRVKOIGGPA-UHFFFAOYSA-N
MW313.44 g/mol
LogP2.69
Rot. Bonds4

About 1-(4-fluorophenyl)-2-(3-methylsulfonylcyclohexyl)propan-2-amine

1-(4-fluorophenyl)-2-(3-methylsulfonylcyclohexyl)propan-2-amine (PubChem CID 114833893) has the molecular formula C16H24FNO2S and a molecular weight of 313.44 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-(3-methylsulfonylcyclohexyl)propan-2-amine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-(3-methylsulfonylcyclohexyl)propan-2-amine
PubChem CID114833893
Molecular FormulaC16H24FNO2S
Molecular Weight313.44 g/mol
Exact Mass313.15
IUPAC Name1-(4-fluorophenyl)-2-(3-methylsulfonylcyclohexyl)propan-2-amine
SMILESCC(N)(Cc1ccc(F)cc1)C1CCCC(S(C)(=O)=O)C1
InChIInChI=1S/C16H24FNO2S/c1-16(18,11-12-6-8-14(17)9-7-12)13-4-3-5-15(10-13)21(2,19)20/h6-9,13,15H,3-5,10-11,18H2,1-2H3
InChIKeyXLEYTRVKOIGGPA-UHFFFAOYSA-N
XLogP2.69
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-(3-methylsulfonylcyclohexyl)propan-2-amine?
The IUPAC name of 1-(4-fluorophenyl)-2-(3-methylsulfonylcyclohexyl)propan-2-amine (CID 114833893) is 1-(4-fluorophenyl)-2-(3-methylsulfonylcyclohexyl)propan-2-amine.
What is the SMILES notation for 1-(4-fluorophenyl)-2-(3-methylsulfonylcyclohexyl)propan-2-amine?
The canonical SMILES for 1-(4-fluorophenyl)-2-(3-methylsulfonylcyclohexyl)propan-2-amine is CC(N)(Cc1ccc(F)cc1)C1CCCC(S(C)(=O)=O)C1.
What is the InChIKey of 1-(4-fluorophenyl)-2-(3-methylsulfonylcyclohexyl)propan-2-amine?
The InChIKey is XLEYTRVKOIGGPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO2S/c1-16(18,11-12-6-8-14(17)9-7-12)13-4-3-5-15(10-13)21(2,19)20/h6-9,13,15H,3-5,10-11,18H2,1-2H3.
What are the key properties of 1-(4-fluorophenyl)-2-(3-methylsulfonylcyclohexyl)propan-2-amine?
1-(4-fluorophenyl)-2-(3-methylsulfonylcyclohexyl)propan-2-amine has a molecular weight of 313.44 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-(3-methylsulfonylcyclohexyl)propan-2-amine is sourced from PubChem (CID 114833893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).