chempirical

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

C9H15NOSCAS 13636-02-7185.28 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
69–71 °C
logP
1.73Crippen estimate
Polar surface area
23.5 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
4

Identifiers

CAS number
13636-02-7
SMILES
CN(C)CCC(O)c1cccs1
InChIKey
XWCNSHMHUZCRLN-UHFFFAOYSA-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

Weigh it out

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

Names and synonyms

6 names
  • 2-Thiophenemethanol, α-[2-(dimethylamino)ethyl]-
  • α-[2-(Dimethylamino)ethyl]-2-thiophenemethanol
  • 3-(Dimethylamino)-1-(2-thienyl)-1-propanol
  • 3-(N,N-Dimethylamino)-1-(2-thienyl)propan-1-ol
  • N,N-Dimethyl-3-hydroxy-3-(2-thienyl)propanamine
  • N,N-Dimethyl-3-hydroxy-3-(2-thienyl)propan-1-amine

Work with 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 (S)-N,N-Dimethyl-3-(2-thienyl)-3-hydroxypropanamine132335-44-5

Elsewhere

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