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

C₈H₁₃NOSCAS 116539-55-0171.26 g/mol

Open in Covalent MOL file

Alcohol Secondary 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 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 4
Stereocentres: Sin SMILES atom order

Hazards

Danger

H302 Harmful if swallowed93.3% of notifiers
H314 Causes severe skin burns and eye damage88.9% of notifiers
H412 Harmful to aquatic life with long lasting effects88.9% of notifiers

Aggregated from 45 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P270, P273, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, P501

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

11 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
3-(N-Methylamino)-1-(2-thienyl)-1-propanol, (-)-

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 2-(Thien-2-yl)pyrrolidine90090-64-545 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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