5-(2-fluorophenyl)sulfanyl-2-methyl-2-(methylamino)pentan-1-ol

C13H20FNOS — CID 64805739

IUPAC5-(2-fluorophenyl)sulfanyl-2-methyl-2-(methylamino)pentan-1-ol
SMILESCNC(C)(CO)CCCSc1ccccc1F
InChIInChI=1S/C13H20FNOS/c1-13(10-16,15-2)8-5-9-17-12-7-4-3-6-11(12)14/h3-4,6-7,15-16H,5,8-10H2,1-2H3
InChIKeyHMGWBTHJIMOLHN-UHFFFAOYSA-N
MW257.37 g/mol
LogP2.67
Rot. Bonds7

About 5-(2-fluorophenyl)sulfanyl-2-methyl-2-(methylamino)pentan-1-ol

5-(2-fluorophenyl)sulfanyl-2-methyl-2-(methylamino)pentan-1-ol (PubChem CID 64805739) has the molecular formula C13H20FNOS and a molecular weight of 257.37 g/mol. Its IUPAC name is 5-(2-fluorophenyl)sulfanyl-2-methyl-2-(methylamino)pentan-1-ol.

Molecular Properties

Compound Name5-(2-fluorophenyl)sulfanyl-2-methyl-2-(methylamino)pentan-1-ol
PubChem CID64805739
Molecular FormulaC13H20FNOS
Molecular Weight257.37 g/mol
Exact Mass257.12
IUPAC Name5-(2-fluorophenyl)sulfanyl-2-methyl-2-(methylamino)pentan-1-ol
SMILESCNC(C)(CO)CCCSc1ccccc1F
InChIInChI=1S/C13H20FNOS/c1-13(10-16,15-2)8-5-9-17-12-7-4-3-6-11(12)14/h3-4,6-7,15-16H,5,8-10H2,1-2H3
InChIKeyHMGWBTHJIMOLHN-UHFFFAOYSA-N
XLogP2.67
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(1S)-2-[(4-fluorophenyl)-dimethyl-lambda4-sulfanyl]-1-[(2S)-pyrrolidin-2-yl]ethanol
CID 155010649
1-(2-Fluorophenyl)sulfanyl-3-(propan-2-ylamino)propan-2-ol
CID 43166335
1-[(2-Fluorophenyl)thio]-3-(propylamino)-2-propanol
CID 43166336
1-(Ethylamino)-3-(2-fluorophenyl)sulfanylpropan-2-ol
CID 43166337
1-(4-Fluorophenyl)sulfanyl-3-(propan-2-ylamino)propan-2-ol
CID 43166356
1-(4-Fluorophenyl)sulfanyl-3-(propylamino)propan-2-ol
CID 43166357
1-(Ethylamino)-3-(4-fluorophenyl)sulfanylpropan-2-ol
CID 43166358
1-(3,4-Difluorophenyl)sulfanyl-3-(propylamino)propan-2-ol
CID 43167468
1-(2,4-Difluorophenyl)sulfanyl-3-(methylamino)propan-2-ol
CID 43167567
1-(2-Fluorophenyl)sulfanyl-3-(methylamino)propan-2-ol
CID 43188098
1-(4-Fluorophenyl)sulfanyl-3-(methylamino)propan-2-ol
CID 43188110
1-(3,4-Difluorophenyl)sulfanyl-3-(propan-2-ylamino)propan-2-ol
CID 43345188

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluorophenyl)sulfanyl-2-methyl-2-(methylamino)pentan-1-ol?
The IUPAC name of 5-(2-fluorophenyl)sulfanyl-2-methyl-2-(methylamino)pentan-1-ol (CID 64805739) is 5-(2-fluorophenyl)sulfanyl-2-methyl-2-(methylamino)pentan-1-ol.
What is the SMILES notation for 5-(2-fluorophenyl)sulfanyl-2-methyl-2-(methylamino)pentan-1-ol?
The canonical SMILES for 5-(2-fluorophenyl)sulfanyl-2-methyl-2-(methylamino)pentan-1-ol is CNC(C)(CO)CCCSc1ccccc1F.
What is the InChIKey of 5-(2-fluorophenyl)sulfanyl-2-methyl-2-(methylamino)pentan-1-ol?
The InChIKey is HMGWBTHJIMOLHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNOS/c1-13(10-16,15-2)8-5-9-17-12-7-4-3-6-11(12)14/h3-4,6-7,15-16H,5,8-10H2,1-2H3.
What are the key properties of 5-(2-fluorophenyl)sulfanyl-2-methyl-2-(methylamino)pentan-1-ol?
5-(2-fluorophenyl)sulfanyl-2-methyl-2-(methylamino)pentan-1-ol has a molecular weight of 257.37 g/mol, XLogP of 2.67, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluorophenyl)sulfanyl-2-methyl-2-(methylamino)pentan-1-ol is sourced from PubChem (CID 64805739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).