3-[2-(4-fluorophenyl)sulfanylethyl-propan-2-ylamino]propan-1-ol

C14H22FNOS — CID 62016181

IUPAC3-[2-(4-fluorophenyl)sulfanylethyl-propan-2-ylamino]propan-1-ol
SMILESCC(C)N(CCCO)CCSc1ccc(F)cc1
InChIInChI=1S/C14H22FNOS/c1-12(2)16(8-3-10-17)9-11-18-14-6-4-13(15)5-7-14/h4-7,12,17H,3,8-11H2,1-2H3
InChIKeyFNYVGDMTGPAAPG-UHFFFAOYSA-N
MW271.40 g/mol
LogP3.01
Rot. Bonds8

About 3-[2-(4-fluorophenyl)sulfanylethyl-propan-2-ylamino]propan-1-ol

3-[2-(4-fluorophenyl)sulfanylethyl-propan-2-ylamino]propan-1-ol (PubChem CID 62016181) has the molecular formula C14H22FNOS and a molecular weight of 271.40 g/mol. Its IUPAC name is 3-[2-(4-fluorophenyl)sulfanylethyl-propan-2-ylamino]propan-1-ol.

Molecular Properties

Compound Name3-[2-(4-fluorophenyl)sulfanylethyl-propan-2-ylamino]propan-1-ol
PubChem CID62016181
Molecular FormulaC14H22FNOS
Molecular Weight271.40 g/mol
Exact Mass271.14
IUPAC Name3-[2-(4-fluorophenyl)sulfanylethyl-propan-2-ylamino]propan-1-ol
SMILESCC(C)N(CCCO)CCSc1ccc(F)cc1
InChIInChI=1S/C14H22FNOS/c1-12(2)16(8-3-10-17)9-11-18-14-6-4-13(15)5-7-14/h4-7,12,17H,3,8-11H2,1-2H3
InChIKeyFNYVGDMTGPAAPG-UHFFFAOYSA-N
XLogP3.01
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-(2-phenylsulfanylethyl)-N-propan-2-ylpropan-1-amine
CID 79229117
1-(4-fluorophenyl)-3-[3-hydroxypropyl(propan-2-yl)amino]propan-1-one
CID 62031112
5-(4-fluorophenyl)sulfanylpentan-1-ol
CID 62228825
N,N-dimethyl-N'-(3-phenylsulfanylpropyl)-N'-propan-2-ylethane-1,2-diamine
CID 118584851
7-[3-hydroxypropyl(propan-2-yl)amino]heptan-1-ol
CID 178129959
N-cyclobutyl-3-(4-fluorophenyl)sulfanyl-N-(3-hydroxypropyl)propanamide
CID 102866164
3-[2-(2-methoxyphenoxy)ethyl-propan-2-ylamino]propan-1-ol
CID 63365326
1-(5-fluoro-2-hydroxyphenyl)-2-[3-hydroxypropyl(propan-2-yl)amino]ethanone
CID 62030728
3-[2-(4-methylphenoxy)ethyl-propan-2-ylamino]propan-1-ol
CID 62022201
3-[2-(4-ethoxyphenoxy)ethyl-propan-2-ylamino]propan-1-ol
CID 62022768
4-fluoro-N-methyl-N-(2-phenylsulfanylethyl)aniline
CID 79315040
2-(3,4-difluorophenyl)sulfanyl-N-(3-hydroxypropyl)-N-propan-2-ylacetamide
CID 61039903

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-fluorophenyl)sulfanylethyl-propan-2-ylamino]propan-1-ol?
The IUPAC name of 3-[2-(4-fluorophenyl)sulfanylethyl-propan-2-ylamino]propan-1-ol (CID 62016181) is 3-[2-(4-fluorophenyl)sulfanylethyl-propan-2-ylamino]propan-1-ol.
What is the SMILES notation for 3-[2-(4-fluorophenyl)sulfanylethyl-propan-2-ylamino]propan-1-ol?
The canonical SMILES for 3-[2-(4-fluorophenyl)sulfanylethyl-propan-2-ylamino]propan-1-ol is CC(C)N(CCCO)CCSc1ccc(F)cc1.
What is the InChIKey of 3-[2-(4-fluorophenyl)sulfanylethyl-propan-2-ylamino]propan-1-ol?
The InChIKey is FNYVGDMTGPAAPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNOS/c1-12(2)16(8-3-10-17)9-11-18-14-6-4-13(15)5-7-14/h4-7,12,17H,3,8-11H2,1-2H3.
What are the key properties of 3-[2-(4-fluorophenyl)sulfanylethyl-propan-2-ylamino]propan-1-ol?
3-[2-(4-fluorophenyl)sulfanylethyl-propan-2-ylamino]propan-1-ol has a molecular weight of 271.40 g/mol, XLogP of 3.01, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-fluorophenyl)sulfanylethyl-propan-2-ylamino]propan-1-ol is sourced from PubChem (CID 62016181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).