2-(cyclopropylamino)-4-(4-fluorophenyl)sulfanyl-2-methylpentan-1-ol

C15H22FNOS — CID 64805959

IUPAC2-(cyclopropylamino)-4-(4-fluorophenyl)sulfanyl-2-methylpentan-1-ol
SMILESCC(CC(C)(CO)NC1CC1)Sc1ccc(F)cc1
InChIInChI=1S/C15H22FNOS/c1-11(19-14-7-3-12(16)4-8-14)9-15(2,10-18)17-13-5-6-13/h3-4,7-8,11,13,17-18H,5-6,9-10H2,1-2H3
InChIKeyMYOFBTYGSMVKTD-UHFFFAOYSA-N
MW283.41 g/mol
LogP3.20
Rot. Bonds7

About 2-(cyclopropylamino)-4-(4-fluorophenyl)sulfanyl-2-methylpentan-1-ol

2-(cyclopropylamino)-4-(4-fluorophenyl)sulfanyl-2-methylpentan-1-ol (PubChem CID 64805959) has the molecular formula C15H22FNOS and a molecular weight of 283.41 g/mol. Its IUPAC name is 2-(cyclopropylamino)-4-(4-fluorophenyl)sulfanyl-2-methylpentan-1-ol.

Molecular Properties

Compound Name2-(cyclopropylamino)-4-(4-fluorophenyl)sulfanyl-2-methylpentan-1-ol
PubChem CID64805959
Molecular FormulaC15H22FNOS
Molecular Weight283.41 g/mol
Exact Mass283.14
IUPAC Name2-(cyclopropylamino)-4-(4-fluorophenyl)sulfanyl-2-methylpentan-1-ol
SMILESCC(CC(C)(CO)NC1CC1)Sc1ccc(F)cc1
InChIInChI=1S/C15H22FNOS/c1-11(19-14-7-3-12(16)4-8-14)9-15(2,10-18)17-13-5-6-13/h3-4,7-8,11,13,17-18H,5-6,9-10H2,1-2H3
InChIKeyMYOFBTYGSMVKTD-UHFFFAOYSA-N
XLogP3.20
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Ethanol, 2-((1-methyl-2-(phenylthio)ethyl)amino)-
CID 22171
(1S)-2-[(4-fluorophenyl)-dimethyl-lambda4-sulfanyl]-1-[(2S)-pyrrolidin-2-yl]ethanol
CID 155010649
1-(Cyclopropylamino)-3-(2-fluorophenyl)sulfanylpropan-2-ol
CID 43166334
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-(Cyclopropylamino)-3-(4-fluorophenyl)sulfanylpropan-2-ol
CID 43166355
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-(Cyclopropylamino)-3-(2,4-difluorophenyl)sulfanylpropan-2-ol
CID 43167566

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-4-(4-fluorophenyl)sulfanyl-2-methylpentan-1-ol?
The IUPAC name of 2-(cyclopropylamino)-4-(4-fluorophenyl)sulfanyl-2-methylpentan-1-ol (CID 64805959) is 2-(cyclopropylamino)-4-(4-fluorophenyl)sulfanyl-2-methylpentan-1-ol.
What is the SMILES notation for 2-(cyclopropylamino)-4-(4-fluorophenyl)sulfanyl-2-methylpentan-1-ol?
The canonical SMILES for 2-(cyclopropylamino)-4-(4-fluorophenyl)sulfanyl-2-methylpentan-1-ol is CC(CC(C)(CO)NC1CC1)Sc1ccc(F)cc1.
What is the InChIKey of 2-(cyclopropylamino)-4-(4-fluorophenyl)sulfanyl-2-methylpentan-1-ol?
The InChIKey is MYOFBTYGSMVKTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNOS/c1-11(19-14-7-3-12(16)4-8-14)9-15(2,10-18)17-13-5-6-13/h3-4,7-8,11,13,17-18H,5-6,9-10H2,1-2H3.
What are the key properties of 2-(cyclopropylamino)-4-(4-fluorophenyl)sulfanyl-2-methylpentan-1-ol?
2-(cyclopropylamino)-4-(4-fluorophenyl)sulfanyl-2-methylpentan-1-ol has a molecular weight of 283.41 g/mol, XLogP of 3.20, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-4-(4-fluorophenyl)sulfanyl-2-methylpentan-1-ol is sourced from PubChem (CID 64805959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).