chempirical

(αS)-α-[2-(Methylamino)ethyl]-2-thiophenemethanol

C8H13NOSCAS 116539-55-0171.26 g/mol

Open in Covalent MOL file
NHHOS
AlcoholSecondary amine

Properties

Molecular formula
C8H13NOS
Molar mass
171.26 g/mol
Exact mass
171.0718 Da
Melting point
70.5–73 °C
logP
1.39Crippen estimate
Polar surface area
32.3 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
4
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
116539-55-0
SMILES
CNCC[C@H](O)c1cccs1
InChIKey
YEJVVFOJMOHFRL-ZETCQYMHSA-N
InChI
InChI=1S/C8H13NOS/c1-9-5-4-7(10)8-3-2-6-11-8/h2-3,6-7,9-10H,4-5H2,1H3/t7-/m0/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

10 names
  • 2-Thiophenemethanol, α-[2-(methylamino)ethyl]-, (αS)-
  • 2-Thiophenemethanol, α-[2-(methylamino)ethyl]-, (S)-
  • (S)-3-Methylamino-1-(2-thienyl)-1-propanol
  • (S)-(-)-3-(N-Methylamino)-1-(2-thienyl)-1-propanol
  • N-Methyl-(S)-(-)-3-Hydroxy-3-(2-thiophen)propylamine
  • (1S)-(-)-3-(Methylamino)-1-(thien-2-yl)propan-1-ol
  • (S)-(-)-3-Methylamino-1-(2-thienyl)propan-1-ol
  • (1S)-3-(Methylamino)-1-(thiophen-2-yl)propan-1-ol
  • (1S)-3-(Methylamino)-1-thiophen-2-ylpropan-1-ol
  • (S)-3-(Methylamino)-1-(thiophen-2-yl)propan-1-ol

Work with (αS)-α-[2-(Methylamino)ethyl]-2-thiophenemethanol

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

(S)-N,N-Dimethyl-3-(2-thienyl)-3-hydroxypropanamine132335-44-559 % similar N,N-Dimethyl-3-(2-thienyl)-3-hydroxypropanamine13636-02-759 % similar 3-(Methylamino)-1-phenyl-1-propanol42142-52-956 % similar 4-[3-(Methylamino)-1-(2-thienyl)propyl]-1-naphthalenol949095-98-151 % similar Duloxetine116539-59-448 % similar (R)-Duloxetine116539-60-748 % similar Duloxetine hydrochloride136434-34-945 % similar N-Methyl-γ-phenylbenzenepropanamine28075-29-839 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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