Benzenemethanol, -[[[2-(4-nitrophenyl)ethyl]amino]methyl]-, (R)-

C16H19ClN2O3CAS 521284-21-9322.79 g/mol

Open in Covalent MOL file
NHN+OO−OHHCl
AlcoholNitroSecondary amine

Properties

Molecular formula
C16H19ClN2O3
Molar mass
322.79 g/mol
Exact mass
322.1084 Da
logP
2.88Crippen estimate
Polar surface area
75.4 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
7
Stereocentres
Rin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
521284-21-9
SMILES
C1=CC=C(C=C1)[C@H](CNCCC2=CC=C(C=C2)[N+](=O)[O-])O.Cl
InChIKey
LUAUJCGKCGBAKA-NTISSMGPSA-N
InChI
InChI=1S/C16H18N2O3.ClH/c19-16(14-4-2-1-3-5-14)12-17-11-10-13-6-8-15(9-7-13)18(20)21;/h1-9,16-17,19H,10-12H2;1H/t16-;/m0./s1

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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

(R)-2-[2-(4-Aminophenyl)ethylamino]-1-phenylethanol hydrochloride521284-22-064 % similar (Alphar)-alpha-hydroxy-N-[2-(4-nitrophenyl)ethyl]benzeneacetamide521284-19-555 % similar N-(4-Nitrophenethyl)-N-methylamine hydrochloride166943-39-151 % similar Benzenemethanamine, 4-nitro-N-propyl-, hydrochloride (1:1)68133-98-247 % similar 2-(4-Nitrophenyl)ethylamine hydrochloride29968-78-347 % similar 1,2-Bis(4-nitrophenyl)ethane736-30-145 % similar p-Nitrobenzylamine hydrochloride18600-42-545 % similar 2-(4-Nitrophenyl)ethanol100-27-643 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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