chempirical

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

C15H26Cl2N2OCAS 1380575-45-0321.29 g/mol

Open in Covalent MOL file
NH2OHNHClHCl
EtherPrimary amineSecondary 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 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
3

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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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 4-Phenylpiperidine hydrochloride10272-49-831 % similar

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

Elsewhere

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