2-Isopropoxy-5-methyl-4-(piperidin-4-yl)aniline dihydrochloride

C₁₅H₂₆Cl₂N₂OCAS 1380575-45-0321.29 g/mol

Open in Covalent MOL file

Ether Primary amine Secondary amine

Properties

Molecular formula: C₁₅H₂₆Cl₂N₂O
Molar mass: 321.29 g/mol
Exact mass: 320.1422 Da
logP: 3.67Crippen estimate
Polar surface area: 47.3 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 3

Hazards

Danger

H302 Harmful if swallowed66.7% of notifiers
H314 Causes severe skin burns and eye damage66.7% of notifiers
H318 Causes serious eye damage66.7% of notifiers
H412 Harmful to aquatic life with long lasting effects66.7% of notifiers

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

Precautionary statements

P260, P264, P264+P265, P270, P273, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P405, P501

Identifiers

CAS number

1380575-45-0

SMILES

Cc1cc(N)c(OC(C)C)cc1C1CCNCC1.Cl.Cl

InChIKey

GRRXEYVKIONDRW-UHFFFAOYSA-N

InChI

InChI=1S/C15H24N2O.2ClH/c1-10(2)18-15-9-13(11(3)8-14(15)16)12-4-6-17-7-5-12;;/h8-10,12,17H,4-7,16H2,1-3H3;2*1H

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Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names

Benzenamine, 5-methyl-2-(1-methylethoxy)-4-(4-piperidinyl)-, hydrochloride (1:2)

Work with 2-Isopropoxy-5-methyl-4-(piperidin-4-yl)aniline dihydrochloride

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

Ceritinib1032900-25-636 % similar 2,4-Dichloro-5-(1-methylethoxy)benzenamine41200-96-834 % similar 3-(Piperidin-4-yl)quinolin-2(1H)-one hydrochloride855778-84-633 % similar 6-Aminothymol hydrochloride6321-11-532 % similar 4-Phenylpiperidine hydrochloride10272-49-831 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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