(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

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers
H361 Suspected of damaging fertility or the unborn child100% of notifiers

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

Precautionary statements

P203, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P318, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

5 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
(3S)-N,N-Dimethyl-3-(naphthalen-1-yloxy)-3-(thiophen-2-yl)propan-1-amine ethanedioate

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Ethanedioic acid hydrate (1:2)6153-56-6Hydrate Oxalic acid144-62-7Free acid (S)-(+)-N,N-Dimethyl-3-(1-naphthalenyloxy)-3-(2-thienyl)propanamine132335-46-7Free base Ferric ammonium oxalate14221-47-7Salt Copper oxalate814-91-5Salt Iron(II) oxalate516-03-0Salt Silver oxalate533-51-7Salt Potassium hydrogenoxalate127-95-7Salt Tin(II) oxalate814-94-8Salt Sodium oxalate62-76-0Salt Lead(II) oxalate814-93-7Salt Barium oxalate516-02-9Salt

Similar compounds

Duloxetine116539-59-458 % similar (R)-Duloxetine116539-60-758 % similar Duloxetine hydrochloride136434-34-955 % similar (S)-N,N-Dimethyl-3-(2-thienyl)-3-hydroxypropanamine132335-44-542 % similar N,N-Dimethyl-3-(2-thienyl)-3-hydroxypropanamine13636-02-742 % similar Napropamide15299-99-738 % similar 3-(Dimethylamino)-1-(naphthalen-1-yl)propan-1-one10320-49-737 % similar Naphthoxyacetic acid2976-75-236 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Sudexanox58761-87-8

Elsewhere

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