2-Chloro-5,6,7,8-tetrahydro-6-(phenylmethyl)-1,6-naphthyridine

C₁₅H₁₅ClN₂CAS 210539-04-1258.75 g/mol

Open in Covalent MOL file

Aryl halide Tertiary amine

Properties

Molecular formula: C₁₅H₁₅ClN₂
Molar mass: 258.75 g/mol
Exact mass: 258.0924 Da
logP: 3.29Crippen estimate
Polar surface area: 16.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 2

Identifiers

CAS number

210539-04-1

SMILES

Clc1ccc2c(n1)CCN(Cc1ccccc1)C2

InChIKey

BPAUBEUYIXYWAV-UHFFFAOYSA-N

InChI

InChI=1S/C15H15ClN2/c16-15-7-6-13-11-18(9-8-14(13)17-15)10-12-4-2-1-3-5-12/h1-7H,8-11H2

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Names and synonyms

2 names

1,6-Naphthyridine, 2-chloro-5,6,7,8-tetrahydro-6-(phenylmethyl)-
6-Benzyl-2-chloro-5,6,7,8-tetrahydro-[1,6]naphthyridine

Work with 2-Chloro-5,6,7,8-tetrahydro-6-(phenylmethyl)-1,6-naphthyridine

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-Benzyl-5,6,7,8-tetrahydropyrido[4,3-D]pyrimidin-4(3H)-one109229-22-343 % similar 1,4,7,10-Tetrabenzyl-1,4,7,10-tetraazacyclododecane18084-64-543 % similar N-(2-Chloroethyl)dibenzylamine hydrochloride55-43-641 % similar Tribenzylamine620-40-641 % similar 2-[Bis(phenylmethyl)amino]ethanol101-06-441 % similar 1-Benzylpiperidine2905-56-839 % similar Hexahydro-1,3,5-tris(phenylmethyl)-1,3,5-triazine2547-66-239 % similar N-Benzylbis(2-chloroethyl)amine hydrochloride10429-82-038 % similar

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

Same formula

1-Anilino-3-phenylimino-1-propene hydrochloride50328-50-2

Elsewhere

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