(S)-(+)-N,N-Dimethyl-3-(1-naphthalenyloxy)-3-(2-thienyl)propanamine oxalate

C₂₁H₂₃NO₅SCAS 132335-47-8401.48 g/mol

Open in Covalent MOL file

Carboxylic acid Ether Tertiary amine

Properties

Molecular formula: C₂₁H₂₃NO₅S
Molar mass: 401.48 g/mol
Exact mass: 401.1297 Da
logP: 4.13Crippen estimate
Polar surface area: 87.1 Å²
H-bond donors / acceptors: 2 / 5
Rotatable bonds: 6
Stereocentres: Sin SMILES atom order

Identifiers

CAS number

132335-47-8

SMILES

CN(C)CC[C@H](Oc1cccc2ccccc12)c1cccs1.O=C(O)C(=O)O

InChIKey

GYUDMXKAVMKVPS-FERBBOLQSA-N

InChI

InChI=1S/C19H21NOS.C2H2O4/c1-20(2)13-12-18(19-11-6-14-22-19)21-17-10-5-8-15-7-3-4-9-16(15)17;3-1(4)2(5)6/h3-11,14,18H,12-13H2,1-2H3;(H,3,4)(H,5,6)/t18-;/m0./s1

Weigh it out

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

Names and synonyms

4 names

2-Thiophenepropanamine, N,N-dimethyl-γ-(1-naphthalenyloxy)-, ethanedioate (1:1), (γS)-
2-Thiophenepropanamine, N,N-dimethyl-γ-(1-naphthalenyloxy)-, (S)-, ethanedioate (1:1)
2-Thiophenepropanamine, N,N-dimethyl-γ-(1-naphthalenyloxy)-, (γS)-, ethanedioate (1:1)
(S)-N,N-Dimethyl-3-(naphthalen-1-yloxy)-3-(thiophen-2-yl)propan-1-amine oxalate

Work with (S)-(+)-N,N-Dimethyl-3-(1-naphthalenyloxy)-3-(2-thienyl)propanamine oxalate

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

Elsewhere

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