3-amino-1-[5-(cyclohexylmethylsulfanyl)-2-fluorophenyl]propan-1-ol

C16H24FNOS — CID 59280913

IUPAC3-amino-1-[5-(cyclohexylmethylsulfanyl)-2-fluorophenyl]propan-1-ol
SMILESNCCC(O)c1cc(SCC2CCCCC2)ccc1F
InChIInChI=1S/C16H24FNOS/c17-15-7-6-13(10-14(15)16(19)8-9-18)20-11-12-4-2-1-3-5-12/h6-7,10,12,16,19H,1-5,8-9,11,18H2
InChIKeyFYYBZMBODFUOLM-UHFFFAOYSA-N
MW297.44 g/mol
LogP3.88
Rot. Bonds6

About 3-amino-1-[5-(cyclohexylmethylsulfanyl)-2-fluorophenyl]propan-1-ol

3-amino-1-[5-(cyclohexylmethylsulfanyl)-2-fluorophenyl]propan-1-ol (PubChem CID 59280913) has the molecular formula C16H24FNOS and a molecular weight of 297.44 g/mol. Its IUPAC name is 3-amino-1-[5-(cyclohexylmethylsulfanyl)-2-fluorophenyl]propan-1-ol.

Molecular Properties

Compound Name3-amino-1-[5-(cyclohexylmethylsulfanyl)-2-fluorophenyl]propan-1-ol
PubChem CID59280913
Molecular FormulaC16H24FNOS
Molecular Weight297.44 g/mol
Exact Mass297.16
IUPAC Name3-amino-1-[5-(cyclohexylmethylsulfanyl)-2-fluorophenyl]propan-1-ol
SMILESNCCC(O)c1cc(SCC2CCCCC2)ccc1F
InChIInChI=1S/C16H24FNOS/c17-15-7-6-13(10-14(15)16(19)8-9-18)20-11-12-4-2-1-3-5-12/h6-7,10,12,16,19H,1-5,8-9,11,18H2
InChIKeyFYYBZMBODFUOLM-UHFFFAOYSA-N
XLogP3.88
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[5-(cyclohexylmethylsulfanyl)-2-fluorophenyl]propan-1-ol?
The IUPAC name of 3-amino-1-[5-(cyclohexylmethylsulfanyl)-2-fluorophenyl]propan-1-ol (CID 59280913) is 3-amino-1-[5-(cyclohexylmethylsulfanyl)-2-fluorophenyl]propan-1-ol.
What is the SMILES notation for 3-amino-1-[5-(cyclohexylmethylsulfanyl)-2-fluorophenyl]propan-1-ol?
The canonical SMILES for 3-amino-1-[5-(cyclohexylmethylsulfanyl)-2-fluorophenyl]propan-1-ol is NCCC(O)c1cc(SCC2CCCCC2)ccc1F.
What is the InChIKey of 3-amino-1-[5-(cyclohexylmethylsulfanyl)-2-fluorophenyl]propan-1-ol?
The InChIKey is FYYBZMBODFUOLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNOS/c17-15-7-6-13(10-14(15)16(19)8-9-18)20-11-12-4-2-1-3-5-12/h6-7,10,12,16,19H,1-5,8-9,11,18H2.
What are the key properties of 3-amino-1-[5-(cyclohexylmethylsulfanyl)-2-fluorophenyl]propan-1-ol?
3-amino-1-[5-(cyclohexylmethylsulfanyl)-2-fluorophenyl]propan-1-ol has a molecular weight of 297.44 g/mol, XLogP of 3.88, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[5-(cyclohexylmethylsulfanyl)-2-fluorophenyl]propan-1-ol is sourced from PubChem (CID 59280913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).