α-[[[2-(2-Chloro-3,4-dimethoxyphenyl)ethyl]amino]methyl]-4-methoxybenzenemethanol

C₁₉H₂₄ClNO₄CAS 71636-38-9365.85 g/mol

Open in Covalent MOL file

Alcohol Aryl halide Ether Secondary amine

Properties

Molecular formula: C₁₉H₂₄ClNO₄
Molar mass: 365.85 g/mol
Exact mass: 365.1394 Da
Melting point: 118.5–121 °C
logP: 3.23Crippen estimate
Polar surface area: 60.0 Å²
H-bond donors / acceptors: 2 / 5
Rotatable bonds: 9

Identifiers

CAS number

71636-38-9

SMILES

COc1ccc(C(O)CNCCc2ccc(OC)c(OC)c2Cl)cc1

InChIKey

PQRXADLRQKVLHQ-UHFFFAOYSA-N

InChI

InChI=1S/C19H24ClNO4/c1-23-15-7-4-13(5-8-15)16(22)12-21-11-10-14-6-9-17(24-2)19(25-3)18(14)20/h4-9,16,21-22H,10-12H2,1-3H3

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Names and synonyms

3 names

Benzenemethanol, α-[[[2-(2-chloro-3,4-dimethoxyphenyl)ethyl]amino]methyl]-4-methoxy-
2-(2-Chloro-3,4-dimethoxyphenethylamino)-1-(4-methoxyphenyl)ethanol
2-[2-(2-Chloro-3,4-dimethoxyphenyl)ethylamino]-1-(4-methoxyphenyl)ethanol

Work with α-[[[2-(2-Chloro-3,4-dimethoxyphenyl)ethyl]amino]methyl]-4-methoxybenzenemethanol

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

6-Methoxy-1,2,3,4-tetrahydroisoquinoline42923-77-337 % similar Desglymidodrine3600-87-137 % similar 2-Chloro-3,4-dimethoxybenzaldehyde5417-17-436 % similar 6-Methoxy-1,2,3,4-tetrahydroisoquinoline hydrochloride57196-62-035 % similar Trimetazidine5011-34-734 % similar 4-Methoxy-α-(4-methoxyphenyl)benzenemethanol728-87-034 % similar 2,3,4-Trimethoxybenzyl alcohol71989-96-334 % similar 2-Chloro-3,4-dimethoxybenzonitrile119413-61-534 % similar

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

Same formula

Sinomenine hydrochloride6080-33-7

Elsewhere

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