chempirical

Hydroxydiethylphenamine

C21H30Cl2N2O2CAS 13073-96-6413.38 g/mol

Open in Covalent MOL file
NNOHOHClHCl
AlcoholEtherTertiary amine

Properties

Molecular formula
C21H30Cl2N2O2
Molar mass
413.38 g/mol
Exact mass
412.1684 Da
logP
3.25Crippen estimate
Polar surface area
35.9 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
8

Identifiers

CAS number
13073-96-6
SMILES
C1CN(CCN1CCOCCO)C(C2=CC=CC=C2)C3=CC=CC=C3.Cl.Cl
InChIKey
RBSDUJACXBVDDN-UHFFFAOYSA-N
InChI
InChI=1S/C21H28N2O2.2ClH/c24-16-18-25-17-15-22-11-13-23(14-12-22)21(19-7-3-1-4-8-19)20-9-5-2-6-10-20;;/h1-10,21,24H,11-18H2;2*1H

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

Work with Hydroxydiethylphenamine

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

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

Elsewhere

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