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

C₁₆H₁₉ClN₂O₃CAS 521284-21-9322.79 g/mol

Open in Covalent MOL file

Alcohol Nitro Secondary 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 Å²
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. Search the SDS library

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

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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