N-[4-(3,4-Dichlorophenyl)-3,4-dihydro-1(2H)-naphthalenylidene]methanamine

C₁₇H₁₅Cl₂NCAS 79560-20-6304.21 g/mol

Open in Covalent MOL file

Aryl halide Imine

Properties

Molecular formula: C₁₇H₁₅Cl₂N
Molar mass: 304.21 g/mol
Exact mass: 303.0582 Da
logP: 5.34Crippen estimate
Polar surface area: 12.4 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation33.3% of notifiers
H319 Causes serious eye irritation33.3% of notifiers
H335 May cause respiratory irritation33.3% of notifiers

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

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

79560-20-6

SMILES

CN=C1CCC(c2ccc(Cl)c(Cl)c2)c2ccccc21

InChIKey

MGBVAZJASCWJGJ-UHFFFAOYSA-N

InChI

InChI=1S/C17H15Cl2N/c1-20-17-9-7-12(13-4-2-3-5-14(13)17)11-6-8-15(18)16(19)10-11/h2-6,8,10,12H,7,9H2,1H3

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Names and synonyms

2 names

Methanamine, N-[4-(3,4-dichlorophenyl)-3,4-dihydro-1(2H)-naphthalenylidene]-
N-(4-(3,4-Dichlorophenyl)-3,4-dihydro-1(2H)-naphthalenylidene)methanamine

Work with N-[4-(3,4-Dichlorophenyl)-3,4-dihydro-1(2H)-naphthalenylidene]methanamine

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

4-(3,4-Dichlorophenyl)-3,4-dihydro-1(2H)-naphthalenone79560-19-364 % similar Sertraline79617-96-249 % similar Sertraline hydrochloride79559-97-046 % similar Rel-(1R,4S)-4-(3,4-Dichlorophenyl)-1,2,3,4-tetrahydro-N-methyl-1-naphthalenamine hydrochloride (1:1)79617-99-546 % similar 2-Chlorophenyl-1-hydroxy-1-cyclopentyl N-methyl ketimine hydrochloride90717-16-134 % similar Diclofensine67165-56-433 % similar 2-(2-Chlorophenyl)cyclohexan-1-one91393-49-633 % similar (2-Chlorophenyl)cyclopentylmethanone6740-85-832 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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