3-[4-fluoro-2-[1-(propylamino)ethyl]phenyl]sulfanylbutan-1-ol

C15H24FNOS — CID 66137016

IUPAC3-[4-fluoro-2-[1-(propylamino)ethyl]phenyl]sulfanylbutan-1-ol
SMILESCCCNC(C)c1cc(F)ccc1SC(C)CCO
InChIInChI=1S/C15H24FNOS/c1-4-8-17-12(3)14-10-13(16)5-6-15(14)19-11(2)7-9-18/h5-6,10-12,17-18H,4,7-9H2,1-3H3
InChIKeyFFFDSQRLABPAEN-UHFFFAOYSA-N
MW285.43 g/mol
LogP3.75
Rot. Bonds8

About 3-[4-fluoro-2-[1-(propylamino)ethyl]phenyl]sulfanylbutan-1-ol

3-[4-fluoro-2-[1-(propylamino)ethyl]phenyl]sulfanylbutan-1-ol (PubChem CID 66137016) has the molecular formula C15H24FNOS and a molecular weight of 285.43 g/mol. Its IUPAC name is 3-[4-fluoro-2-[1-(propylamino)ethyl]phenyl]sulfanylbutan-1-ol.

Molecular Properties

Compound Name3-[4-fluoro-2-[1-(propylamino)ethyl]phenyl]sulfanylbutan-1-ol
PubChem CID66137016
Molecular FormulaC15H24FNOS
Molecular Weight285.43 g/mol
Exact Mass285.16
IUPAC Name3-[4-fluoro-2-[1-(propylamino)ethyl]phenyl]sulfanylbutan-1-ol
SMILESCCCNC(C)c1cc(F)ccc1SC(C)CCO
InChIInChI=1S/C15H24FNOS/c1-4-8-17-12(3)14-10-13(16)5-6-15(14)19-11(2)7-9-18/h5-6,10-12,17-18H,4,7-9H2,1-3H3
InChIKeyFFFDSQRLABPAEN-UHFFFAOYSA-N
XLogP3.75
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2,5-difluorophenyl)ethyl]propan-1-amine
CID 24705464
5-fluoro-2-[1-(propylamino)ethyl]phenol
CID 63064581
2-[N-ethyl-4-fluoro-2-[1-(propylamino)ethyl]anilino]ethanol
CID 54879809
N-[1-[5-fluoro-2-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]ethyl]propan-1-amine
CID 43286204
4-(2,4-difluorophenyl)sulfanyl-N-propylpentan-2-amine
CID 64702656
(1R)-1-(2-butan-2-ylsulfanyl-5-fluorophenyl)ethanol
CID 63813206
N-[1-(4-fluoro-2-methoxyphenyl)ethyl]propan-1-amine
CID 63066757
N-[1-[5-fluoro-2-(4-fluorophenoxy)phenyl]ethyl]propan-1-amine
CID 43285523
N-ethyl-1-(2-ethylsulfanyl-5-fluorophenyl)ethanamine
CID 43286078
N-[1-(2,4-difluorophenyl)ethyl]-3-methylsulfanylbutan-1-amine
CID 113261034
N-ethyl-1-(5-fluoro-2-pyrimidin-2-ylsulfanylphenyl)ethanamine
CID 43286467
2-[[(1S)-1-(2-chloro-4-fluorophenyl)ethyl]amino]ethanol
CID 93286867

Frequently Asked Questions

What is the IUPAC name of 3-[4-fluoro-2-[1-(propylamino)ethyl]phenyl]sulfanylbutan-1-ol?
The IUPAC name of 3-[4-fluoro-2-[1-(propylamino)ethyl]phenyl]sulfanylbutan-1-ol (CID 66137016) is 3-[4-fluoro-2-[1-(propylamino)ethyl]phenyl]sulfanylbutan-1-ol.
What is the SMILES notation for 3-[4-fluoro-2-[1-(propylamino)ethyl]phenyl]sulfanylbutan-1-ol?
The canonical SMILES for 3-[4-fluoro-2-[1-(propylamino)ethyl]phenyl]sulfanylbutan-1-ol is CCCNC(C)c1cc(F)ccc1SC(C)CCO.
What is the InChIKey of 3-[4-fluoro-2-[1-(propylamino)ethyl]phenyl]sulfanylbutan-1-ol?
The InChIKey is FFFDSQRLABPAEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FNOS/c1-4-8-17-12(3)14-10-13(16)5-6-15(14)19-11(2)7-9-18/h5-6,10-12,17-18H,4,7-9H2,1-3H3.
What are the key properties of 3-[4-fluoro-2-[1-(propylamino)ethyl]phenyl]sulfanylbutan-1-ol?
3-[4-fluoro-2-[1-(propylamino)ethyl]phenyl]sulfanylbutan-1-ol has a molecular weight of 285.43 g/mol, XLogP of 3.75, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-fluoro-2-[1-(propylamino)ethyl]phenyl]sulfanylbutan-1-ol is sourced from PubChem (CID 66137016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).