1-(1-benzothiophen-2-yl)-3-fluoro-2-(methylamino)propan-1-ol

C12H14FNOS — CID 171632769

IUPAC1-(1-benzothiophen-2-yl)-3-fluoro-2-(methylamino)propan-1-ol
SMILESCNC(CF)C(O)c1cc2ccccc2s1
InChIInChI=1S/C12H14FNOS/c1-14-9(7-13)12(15)11-6-8-4-2-3-5-10(8)16-11/h2-6,9,12,14-15H,7H2,1H3
InChIKeyOTWJKHWREHOJDV-UHFFFAOYSA-N
MW239.31 g/mol
LogP2.49
Rot. Bonds4

About 1-(1-benzothiophen-2-yl)-3-fluoro-2-(methylamino)propan-1-ol

1-(1-benzothiophen-2-yl)-3-fluoro-2-(methylamino)propan-1-ol (PubChem CID 171632769) has the molecular formula C12H14FNOS and a molecular weight of 239.31 g/mol. Its IUPAC name is 1-(1-benzothiophen-2-yl)-3-fluoro-2-(methylamino)propan-1-ol.

Molecular Properties

Compound Name1-(1-benzothiophen-2-yl)-3-fluoro-2-(methylamino)propan-1-ol
PubChem CID171632769
Molecular FormulaC12H14FNOS
Molecular Weight239.31 g/mol
Exact Mass239.08
IUPAC Name1-(1-benzothiophen-2-yl)-3-fluoro-2-(methylamino)propan-1-ol
SMILESCNC(CF)C(O)c1cc2ccccc2s1
InChIInChI=1S/C12H14FNOS/c1-14-9(7-13)12(15)11-6-8-4-2-3-5-10(8)16-11/h2-6,9,12,14-15H,7H2,1H3
InChIKeyOTWJKHWREHOJDV-UHFFFAOYSA-N
XLogP2.49
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Benzenemethanol, alpha-(1-((3,3-di-3-thienyl-2-propenyl)amino)ethyl)-, (R-(R*,S*))-
CID 3033341
2-[(5-Methyl-thiophen-2-ylmethyl)-amino]-1-phenyl-ethanol
CID 6461664
2-Amino-1-(1-benzothiophen-2-yl)ethan-1-ol
CID 2756344
1-(3-Chlorophenyl)-2-[1-(5-fluoro-1-benzothiophen-3-yl)propan-2-ylamino]ethanol
CID 9928993
Benzo(b)thiophene-3-methanol, alpha-(pyrrolidinomethyl)-, hydrochloride
CID 23800
1-(1-Benzothiophen-3-yl)-2-(piperidin-1-yl)ethan-1-ol--hydrogen chloride (1/1)
CID 23864
1-(1-Benzothiophen-3-yl)-2-(morpholin-4-yl)ethan-1-ol--hydrogen chloride (1/1)
CID 23869
Tinofedrine hydrochloride
CID 3039549
Benzo(b)thiophene-2-methanol, alpha-((2-(methylamino)ethoxy)methyl)-, hydrochloride
CID 3076662
(1S,2S)-1-(1-benzothiophen-3-yl)-2-(4-benzyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-ol
CID 66572503
(1S,2R)-1-(1-benzothiophen-3-yl)-2-(4-benzyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-ol
CID 70686229
2-[2-(Dimethylsulfamoylamino)-1-hydroxyethyl]-1-benzothiophene
CID 71967723

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-2-yl)-3-fluoro-2-(methylamino)propan-1-ol?
The IUPAC name of 1-(1-benzothiophen-2-yl)-3-fluoro-2-(methylamino)propan-1-ol (CID 171632769) is 1-(1-benzothiophen-2-yl)-3-fluoro-2-(methylamino)propan-1-ol.
What is the SMILES notation for 1-(1-benzothiophen-2-yl)-3-fluoro-2-(methylamino)propan-1-ol?
The canonical SMILES for 1-(1-benzothiophen-2-yl)-3-fluoro-2-(methylamino)propan-1-ol is CNC(CF)C(O)c1cc2ccccc2s1.
What is the InChIKey of 1-(1-benzothiophen-2-yl)-3-fluoro-2-(methylamino)propan-1-ol?
The InChIKey is OTWJKHWREHOJDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNOS/c1-14-9(7-13)12(15)11-6-8-4-2-3-5-10(8)16-11/h2-6,9,12,14-15H,7H2,1H3.
What are the key properties of 1-(1-benzothiophen-2-yl)-3-fluoro-2-(methylamino)propan-1-ol?
1-(1-benzothiophen-2-yl)-3-fluoro-2-(methylamino)propan-1-ol has a molecular weight of 239.31 g/mol, XLogP of 2.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-2-yl)-3-fluoro-2-(methylamino)propan-1-ol is sourced from PubChem (CID 171632769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).