4-(4-fluorophenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)pentan-1-ol

C15H24FNOS — CID 64805958

IUPAC4-(4-fluorophenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)pentan-1-ol
SMILESCC(C)NC(C)(CO)CC(C)Sc1ccc(F)cc1
InChIInChI=1S/C15H24FNOS/c1-11(2)17-15(4,10-18)9-12(3)19-14-7-5-13(16)6-8-14/h5-8,11-12,17-18H,9-10H2,1-4H3
InChIKeyDRSVFNYJDIECTJ-UHFFFAOYSA-N
MW285.43 g/mol
LogP3.45
Rot. Bonds7

About 4-(4-fluorophenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)pentan-1-ol

4-(4-fluorophenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)pentan-1-ol (PubChem CID 64805958) has the molecular formula C15H24FNOS and a molecular weight of 285.43 g/mol. Its IUPAC name is 4-(4-fluorophenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)pentan-1-ol.

Molecular Properties

Compound Name4-(4-fluorophenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)pentan-1-ol
PubChem CID64805958
Molecular FormulaC15H24FNOS
Molecular Weight285.43 g/mol
Exact Mass285.16
IUPAC Name4-(4-fluorophenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)pentan-1-ol
SMILESCC(C)NC(C)(CO)CC(C)Sc1ccc(F)cc1
InChIInChI=1S/C15H24FNOS/c1-11(2)17-15(4,10-18)9-12(3)19-14-7-5-13(16)6-8-14/h5-8,11-12,17-18H,9-10H2,1-4H3
InChIKeyDRSVFNYJDIECTJ-UHFFFAOYSA-N
XLogP3.45
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)pentan-1-ol?
The IUPAC name of 4-(4-fluorophenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)pentan-1-ol (CID 64805958) is 4-(4-fluorophenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)pentan-1-ol.
What is the SMILES notation for 4-(4-fluorophenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)pentan-1-ol?
The canonical SMILES for 4-(4-fluorophenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)pentan-1-ol is CC(C)NC(C)(CO)CC(C)Sc1ccc(F)cc1.
What is the InChIKey of 4-(4-fluorophenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)pentan-1-ol?
The InChIKey is DRSVFNYJDIECTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FNOS/c1-11(2)17-15(4,10-18)9-12(3)19-14-7-5-13(16)6-8-14/h5-8,11-12,17-18H,9-10H2,1-4H3.
What are the key properties of 4-(4-fluorophenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)pentan-1-ol?
4-(4-fluorophenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)pentan-1-ol has a molecular weight of 285.43 g/mol, XLogP of 3.45, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)pentan-1-ol is sourced from PubChem (CID 64805958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).