1-cyclopropyl-2-[2-(4-fluorophenyl)sulfanylethyl-methylamino]ethanol

C14H20FNOS — CID 111858759

IUPAC1-cyclopropyl-2-[2-(4-fluorophenyl)sulfanylethyl-methylamino]ethanol
SMILESCN(CCSc1ccc(F)cc1)CC(O)C1CC1
InChIInChI=1S/C14H20FNOS/c1-16(10-14(17)11-2-3-11)8-9-18-13-6-4-12(15)5-7-13/h4-7,11,14,17H,2-3,8-10H2,1H3
InChIKeyGXDZAWVXGUNRGO-UHFFFAOYSA-N
MW269.38 g/mol
LogP2.62
Rot. Bonds7

About 1-cyclopropyl-2-[2-(4-fluorophenyl)sulfanylethyl-methylamino]ethanol

1-cyclopropyl-2-[2-(4-fluorophenyl)sulfanylethyl-methylamino]ethanol (PubChem CID 111858759) has the molecular formula C14H20FNOS and a molecular weight of 269.38 g/mol. Its IUPAC name is 1-cyclopropyl-2-[2-(4-fluorophenyl)sulfanylethyl-methylamino]ethanol.

Molecular Properties

Compound Name1-cyclopropyl-2-[2-(4-fluorophenyl)sulfanylethyl-methylamino]ethanol
PubChem CID111858759
Molecular FormulaC14H20FNOS
Molecular Weight269.38 g/mol
Exact Mass269.12
IUPAC Name1-cyclopropyl-2-[2-(4-fluorophenyl)sulfanylethyl-methylamino]ethanol
SMILESCN(CCSc1ccc(F)cc1)CC(O)C1CC1
InChIInChI=1S/C14H20FNOS/c1-16(10-14(17)11-2-3-11)8-9-18-13-6-4-12(15)5-7-13/h4-7,11,14,17H,2-3,8-10H2,1H3
InChIKeyGXDZAWVXGUNRGO-UHFFFAOYSA-N
XLogP2.62
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclohexyl-2-[(4-fluorophenyl)methyl-methylamino]ethanol
CID 104752723
2-[(2-cyclopropyl-2-hydroxyethyl)-methylamino]-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide
CID 111858821
1-cyclopropyl-2-[(2,4-difluorophenyl)methyl-methylamino]ethanol
CID 111977227
1-cyclopropyl-2-[[2-(3-fluorophenyl)-2-hydroxyethyl]-methylamino]ethanol
CID 111858572
2-(4-fluorophenyl)sulfanyl-N-methyl-N-(piperidin-2-ylmethyl)ethanamine
CID 106635479
1-cyclopropyl-2-[methyl(2-phenylethyl)amino]ethanol
CID 65486700
1-cyclopropyl-2-(N-ethyl-4-fluoroanilino)ethanol
CID 63908117
1-cyclopropyl-2-[(3-fluorophenyl)methyl-methylamino]ethanol
CID 111858608
1-cyclopropyl-2-[methyl(2-methylpropyl)amino]ethanol
CID 63906984
3-[cyclopropyl-(4-fluorophenyl)methyl]-1-(2-cyclopropyl-2-hydroxyethyl)-1-methylurea
CID 75379181
N-[(4-fluorophenyl)methyl]-N-methyl-2-phenylsulfanylethanamine
CID 78962431
2-[(4-chlorophenyl)methyl-methylamino]-1-cyclopropylethanol
CID 111858655

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-[2-(4-fluorophenyl)sulfanylethyl-methylamino]ethanol?
The IUPAC name of 1-cyclopropyl-2-[2-(4-fluorophenyl)sulfanylethyl-methylamino]ethanol (CID 111858759) is 1-cyclopropyl-2-[2-(4-fluorophenyl)sulfanylethyl-methylamino]ethanol.
What is the SMILES notation for 1-cyclopropyl-2-[2-(4-fluorophenyl)sulfanylethyl-methylamino]ethanol?
The canonical SMILES for 1-cyclopropyl-2-[2-(4-fluorophenyl)sulfanylethyl-methylamino]ethanol is CN(CCSc1ccc(F)cc1)CC(O)C1CC1.
What is the InChIKey of 1-cyclopropyl-2-[2-(4-fluorophenyl)sulfanylethyl-methylamino]ethanol?
The InChIKey is GXDZAWVXGUNRGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNOS/c1-16(10-14(17)11-2-3-11)8-9-18-13-6-4-12(15)5-7-13/h4-7,11,14,17H,2-3,8-10H2,1H3.
What are the key properties of 1-cyclopropyl-2-[2-(4-fluorophenyl)sulfanylethyl-methylamino]ethanol?
1-cyclopropyl-2-[2-(4-fluorophenyl)sulfanylethyl-methylamino]ethanol has a molecular weight of 269.38 g/mol, XLogP of 2.62, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-[2-(4-fluorophenyl)sulfanylethyl-methylamino]ethanol is sourced from PubChem (CID 111858759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).