1-(dimethylamino)-3-[(3-fluorophenyl)methylsulfanyl]propan-2-ol

C12H18FNOS — CID 54521356

IUPAC1-(dimethylamino)-3-[(3-fluorophenyl)methylsulfanyl]propan-2-ol
SMILESCN(C)CC(O)CSCc1cccc(F)c1
InChIInChI=1S/C12H18FNOS/c1-14(2)7-12(15)9-16-8-10-4-3-5-11(13)6-10/h3-6,12,15H,7-9H2,1-2H3
InChIKeyYQBFHHCHXFSLMX-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.98
Rot. Bonds6

About 1-(dimethylamino)-3-[(3-fluorophenyl)methylsulfanyl]propan-2-ol

1-(dimethylamino)-3-[(3-fluorophenyl)methylsulfanyl]propan-2-ol (PubChem CID 54521356) has the molecular formula C12H18FNOS and a molecular weight of 243.35 g/mol. Its IUPAC name is 1-(dimethylamino)-3-[(3-fluorophenyl)methylsulfanyl]propan-2-ol.

Molecular Properties

Compound Name1-(dimethylamino)-3-[(3-fluorophenyl)methylsulfanyl]propan-2-ol
PubChem CID54521356
Molecular FormulaC12H18FNOS
Molecular Weight243.35 g/mol
Exact Mass243.11
IUPAC Name1-(dimethylamino)-3-[(3-fluorophenyl)methylsulfanyl]propan-2-ol
SMILESCN(C)CC(O)CSCc1cccc(F)c1
InChIInChI=1S/C12H18FNOS/c1-14(2)7-12(15)9-16-8-10-4-3-5-11(13)6-10/h3-6,12,15H,7-9H2,1-2H3
InChIKeyYQBFHHCHXFSLMX-UHFFFAOYSA-N
XLogP1.98
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-3-[(3-fluorophenyl)methylsulfanyl]propan-2-ol?
The IUPAC name of 1-(dimethylamino)-3-[(3-fluorophenyl)methylsulfanyl]propan-2-ol (CID 54521356) is 1-(dimethylamino)-3-[(3-fluorophenyl)methylsulfanyl]propan-2-ol.
What is the SMILES notation for 1-(dimethylamino)-3-[(3-fluorophenyl)methylsulfanyl]propan-2-ol?
The canonical SMILES for 1-(dimethylamino)-3-[(3-fluorophenyl)methylsulfanyl]propan-2-ol is CN(C)CC(O)CSCc1cccc(F)c1.
What is the InChIKey of 1-(dimethylamino)-3-[(3-fluorophenyl)methylsulfanyl]propan-2-ol?
The InChIKey is YQBFHHCHXFSLMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNOS/c1-14(2)7-12(15)9-16-8-10-4-3-5-11(13)6-10/h3-6,12,15H,7-9H2,1-2H3.
What are the key properties of 1-(dimethylamino)-3-[(3-fluorophenyl)methylsulfanyl]propan-2-ol?
1-(dimethylamino)-3-[(3-fluorophenyl)methylsulfanyl]propan-2-ol has a molecular weight of 243.35 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-3-[(3-fluorophenyl)methylsulfanyl]propan-2-ol is sourced from PubChem (CID 54521356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).