4-[3-(Methylamino)-1-(2-thienyl)propyl]-1-naphthalenol

C₁₈H₁₉NOSCAS 949095-98-1297.42 g/mol

Open in Covalent MOL file

Phenol Secondary amine

Properties

Molecular formula: C₁₈H₁₉NOS
Molar mass: 297.42 g/mol
Exact mass: 297.1187 Da
logP: 4.35Crippen estimate
Polar surface area: 32.3 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 5

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

949095-98-1

SMILES

CNCCC(c1cccs1)c1ccc(O)c2ccccc12

InChIKey

OJXMJLCWKLPCHB-UHFFFAOYSA-N

InChI

InChI=1S/C18H19NOS/c1-19-11-10-16(18-7-4-12-21-18)14-8-9-17(20)15-6-3-2-5-13(14)15/h2-9,12,16,19-20H,10-11H2,1H3

Weigh it out

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Names and synonyms

3 names

1-Naphthalenol, 4-[3-(methylamino)-1-(2-thienyl)propyl]-
para-Naphthol duloxetine
4-(3-(Methylamino)-1-(2-thienyl)propyl)-1-naphthalenol

Work with 4-[3-(Methylamino)-1-(2-thienyl)propyl]-1-naphthalenol

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-thiophenemethanol116539-55-051 % similar Duloxetine hydrochloride136434-34-944 % similar N-Methyl-γ-phenylbenzenepropanamine28075-29-839 % similar 2-(Thien-2-yl)pyrrolidine90090-64-535 % similar 1,4-Naphthalenediol571-60-834 % similar 3-(Methylamino)-1-phenyl-1-propanol42142-52-934 % similar (S)-N,N-Dimethyl-3-(2-thienyl)-3-hydroxypropanamine132335-44-532 % similar N,N-Dimethyl-3-(2-thienyl)-3-hydroxypropanamine13636-02-732 % similar

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

Same formula

Duloxetine116539-59-4 (R)-Duloxetine116539-60-7

Elsewhere

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