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

C₉H₁₅NOSCAS 13636-02-7185.28 g/mol

Open in Covalent MOL file

Alcohol Tertiary 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 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 4

Hazards

Danger

H302 Harmful if swallowed66.7% of notifiers
H315 Causes skin irritation33.3% of notifiers
H318 Causes serious eye damage33.3% of notifiers
H319 Causes serious eye irritation33.3% of notifiers
H332 Harmful if inhaled33.3% of notifiers

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, P501

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

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.

(S)-N,N-Dimethyl-3-(2-thienyl)-3-hydroxypropanamine132335-44-5Defined stereoisomer

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 (1S)-1-(Thiophen-2-yl)ethan-1-ol27948-39-646 % similar (1R)-1-(2-Thienyl)ethanol86527-10-846 % similar (S)-(+)-N,N-Dimethyl-3-(1-naphthalenyloxy)-3-(2-thienyl)propanamine oxalate132335-47-842 % similar 2-(Thien-2-yl)pyrrolidine90090-64-538 % similar 3-Dimethylamino-1-(2-thienyl)-1-propanone hydrochloride5424-47-536 % similar 2,2'-Thenoin27761-02-035 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

α-[2-(Dimethylamino)ethyl]-3-thiophenemethanol116817-84-6

Elsewhere

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