(1R,2R)-1,2-Bis(4-methoxyphenyl)ethylenediamine

C₁₆H₂₀N₂O₂CAS 58520-03-9272.35 g/mol

Open in Covalent MOL file

Ether Primary amine

Properties

Molecular formula: C₁₆H₂₀N₂O₂
Molar mass: 272.35 g/mol
Exact mass: 272.1525 Da
logP: 2.40Crippen estimate
Polar surface area: 70.5 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 5
Stereocentres: R, Rin SMILES atom order

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 38 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

58520-03-9

SMILES

COC1=CC=C(C=C1)[C@H]([C@@H](C2=CC=C(C=C2)OC)N)N

InChIKey

ZWMPRHYHRAUVGY-HZPDHXFCSA-N

InChI

InChI=1S/C16H20N2O2/c1-19-13-7-3-11(4-8-13)15(17)16(18)12-5-9-14(20-2)10-6-12/h3-10,15-16H,17-18H2,1-2H3/t15-,16-/m1/s1

Weigh it out

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

Work with (1R,2R)-1,2-Bis(4-methoxyphenyl)ethylenediamine

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

(1S,2S)-Bis(4-methoxyphenyl)-1,2-ethanediamine58520-04-0

Similar compounds

(+)-1-(4-Methoxyphenyl)ethylamine22038-86-463 % similar (αS)-4-Methoxy-α-methylbenzenemethanamine41851-59-663 % similar 1-(4-Methoxyphenyl)ethylamine6298-96-063 % similar 4-Isopropylanisole4132-48-358 % similar 1,4-Dimethoxybenzene150-78-757 % similar Anisaldehyde dimethyl acetal2186-92-756 % similar p,p'-Dimethoxybenzhydryl alcohol728-87-056 % similar (S)-1-(4-Methoxyphenyl)ethanol1572-97-052 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Ethyl 4-cyano-1-(phenylmethyl)-4-piperidinecarboxylate123730-67-6

Elsewhere

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