chempirical

(S)-N,N-Dimethyl-3-(2-thienyl)-3-hydroxypropanamine

C9H15NOSCAS 132335-44-5185.28 g/mol

Open in Covalent MOL file
NHOS
AlcoholTertiary amine

Properties

Molecular formula
C9H15NOS
Molar mass
185.28 g/mol
Exact mass
185.0874 Da
Melting point
78–80 °C
logP
1.73Crippen estimate
Polar surface area
23.5 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
4
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
132335-44-5
SMILES
CN(C)CC[C@H](O)c1cccs1
InChIKey
XWCNSHMHUZCRLN-QMMMGPOBSA-N
InChI
InChI=1S/C9H15NOS/c1-10(2)6-5-8(11)9-4-3-7-12-9/h3-4,7-8,11H,5-6H2,1-2H3/t8-/m0/s1

Weigh it out

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

Names and synonyms

12 names
  • 2-Thiophenemethanol, α-[2-(dimethylamino)ethyl]-, (αS)-
  • 2-Thiophenemethanol, α-[2-(dimethylamino)ethyl]-, (S)-
  • (αS)-α-[2-(Dimethylamino)ethyl]-2-thiophenemethanol
  • (S)-(-)-N,N-Dimethyl-3-hydroxy-3-(2-thienyl)propanamine
  • (S)-3-(Dimethylamino)-1-(2-thienyl)-1-propanol
  • (1S)-3-(Dimethylamino)-1-(2-thienyl)-1-propanol
  • (S)-(-)-3-(Dimethylamino)-1-(thiophen-2-yl)propan-1-ol
  • (S)-N,N-Dimethyl-3-hydroxy-3-(2-thienyl)-1-propylamine
  • (S)-α-[2-(Dimethylamino)ethyl]-2-thiophenemethanol
  • (1S)-3-(Dimethylamino)-1-(thiophen-2-yl)propan-1-ol
  • (S)-(-)-N,N-Dimethyl-3-hydroxy-3-(2-thienyl)propylamine
  • (1S)-3-(Dimethylamino)-1-thiophen-2-ylpropan-1-ol

Work with (S)-N,N-Dimethyl-3-(2-thienyl)-3-hydroxypropanamine

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

(αS)-α-[2-(Methylamino)ethyl]-2-thiophenemethanol116539-55-059 % similar (S)-(+)-N,N-Dimethyl-3-(1-naphthalenyloxy)-3-(2-thienyl)propanamine132335-46-747 % similar (S)-(+)-N,N-Dimethyl-3-(1-naphthalenyloxy)-3-(2-thienyl)propanamine oxalate132335-47-842 % similar 3-Dimethylamino-1-(2-thienyl)-1-propanone hydrochloride5424-47-536 % similar (±)-Pheniramine86-21-533 % similar α-Amino-2-thiopheneacetic acid21124-40-333 % similar L-α-(2-Thienyl)glycine43189-45-333 % similar 4-[3-(Methylamino)-1-(2-thienyl)propyl]-1-naphthalenol949095-98-132 % similar

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

Same formula

α-[2-(Dimethylamino)ethyl]-3-thiophenemethanol116817-84-6 N,N-Dimethyl-3-(2-thienyl)-3-hydroxypropanamine13636-02-7

Elsewhere

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