1-(dibenzylamino)-3-(4-fluorophenyl)sulfanylpropan-2-ol

C23H24FNOS — CID 70690597

IUPAC1-(dibenzylamino)-3-(4-fluorophenyl)sulfanylpropan-2-ol
SMILESOC(CSc1ccc(F)cc1)CN(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C23H24FNOS/c24-21-11-13-23(14-12-21)27-18-22(26)17-25(15-19-7-3-1-4-8-19)16-20-9-5-2-6-10-20/h1-14,22,26H,15-18H2
InChIKeyZBDBMDUMRLJFID-UHFFFAOYSA-N
MW381.52 g/mol
LogP4.98
Rot. Bonds9

About 1-(dibenzylamino)-3-(4-fluorophenyl)sulfanylpropan-2-ol

1-(dibenzylamino)-3-(4-fluorophenyl)sulfanylpropan-2-ol (PubChem CID 70690597) has the molecular formula C23H24FNOS and a molecular weight of 381.52 g/mol. Its IUPAC name is 1-(dibenzylamino)-3-(4-fluorophenyl)sulfanylpropan-2-ol.

Molecular Properties

Compound Name1-(dibenzylamino)-3-(4-fluorophenyl)sulfanylpropan-2-ol
PubChem CID70690597
Molecular FormulaC23H24FNOS
Molecular Weight381.52 g/mol
Exact Mass381.16
IUPAC Name1-(dibenzylamino)-3-(4-fluorophenyl)sulfanylpropan-2-ol
SMILESOC(CSc1ccc(F)cc1)CN(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C23H24FNOS/c24-21-11-13-23(14-12-21)27-18-22(26)17-25(15-19-7-3-1-4-8-19)16-20-9-5-2-6-10-20/h1-14,22,26H,15-18H2
InChIKeyZBDBMDUMRLJFID-UHFFFAOYSA-N
XLogP4.98
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(dibenzylamino)-3-(4-fluorophenyl)sulfanylpropan-2-ol?
The IUPAC name of 1-(dibenzylamino)-3-(4-fluorophenyl)sulfanylpropan-2-ol (CID 70690597) is 1-(dibenzylamino)-3-(4-fluorophenyl)sulfanylpropan-2-ol.
What is the SMILES notation for 1-(dibenzylamino)-3-(4-fluorophenyl)sulfanylpropan-2-ol?
The canonical SMILES for 1-(dibenzylamino)-3-(4-fluorophenyl)sulfanylpropan-2-ol is OC(CSc1ccc(F)cc1)CN(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of 1-(dibenzylamino)-3-(4-fluorophenyl)sulfanylpropan-2-ol?
The InChIKey is ZBDBMDUMRLJFID-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FNOS/c24-21-11-13-23(14-12-21)27-18-22(26)17-25(15-19-7-3-1-4-8-19)16-20-9-5-2-6-10-20/h1-14,22,26H,15-18H2.
What are the key properties of 1-(dibenzylamino)-3-(4-fluorophenyl)sulfanylpropan-2-ol?
1-(dibenzylamino)-3-(4-fluorophenyl)sulfanylpropan-2-ol has a molecular weight of 381.52 g/mol, XLogP of 4.98, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dibenzylamino)-3-(4-fluorophenyl)sulfanylpropan-2-ol is sourced from PubChem (CID 70690597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).