α-[2-(Dimethylamino)ethyl]-3-thiophenemethanol

C₉H₁₅NOSCAS 116817-84-6185.28 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
logP: 1.73Crippen estimate
Polar surface area: 23.5 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 4

Identifiers

CAS number

116817-84-6

SMILES

CN(C)CCC(O)c1ccsc1

InChIKey

HKVIPLMMUMBSKB-UHFFFAOYSA-N

InChI

InChI=1S/C9H15NOS/c1-10(2)5-3-9(11)8-4-6-12-7-8/h4,6-7,9,11H,3,5H2,1-2H3

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Names and synonyms

1 names

3-Thiophenemethanol, α-[2-(dimethylamino)ethyl]-

Work with α-[2-(Dimethylamino)ethyl]-3-thiophenemethanol

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

2-(3-Thienyl)pyrrolidine298690-85-437 % similar 3-Thiophenemalonic acid21080-92-234 % similar (±)-Pheniramine86-21-532 % similar (αR)-α-Amino-3-thiopheneacetic acid1194-86-132 % similar 1-Phenyl-1-pentanol583-03-931 % similar (αS)-α-[2-(Methylamino)ethyl]-2-thiophenemethanol116539-55-030 % similar 3-(Methylamino)-1-phenyl-1-propanol42142-52-930 % similar Diphenhydramine58-73-130 % similar

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

Same formula

(S)-N,N-Dimethyl-3-(2-thienyl)-3-hydroxypropanamine132335-44-5 N,N-Dimethyl-3-(2-thienyl)-3-hydroxypropanamine13636-02-7

Elsewhere

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