Bis(4-methoxybenzyl)amine

C₁₆H₁₉NO₂CAS 17061-62-0257.33 g/mol

Open in Covalent MOL file

Ether Secondary amine

Properties

Molecular formula: C₁₆H₁₉NO₂
Molar mass: 257.33 g/mol
Exact mass: 257.1416 Da
Melting point: 35–37 °C
Boiling point: 225–230 °C (at 10 Torr)
logP: 2.99Crippen estimate
Polar surface area: 30.5 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 6

Hazards

Danger

H314 Causes severe skin burns and eye damage80% of notifiers
H315 Causes skin irritation20% of notifiers
H318 Causes serious eye damage40% of notifiers
H319 Causes serious eye irritation20% of notifiers

Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P264+P265, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P321, P332+P317, P337+P317, P362+P364, P363, P405, P501

Identifiers

CAS number

17061-62-0

SMILES

COc1ccc(CNCc2ccc(OC)cc2)cc1

InChIKey

HBKPDEWGANZHJO-UHFFFAOYSA-N

InChI

InChI=1S/C16H19NO2/c1-18-15-7-3-13(4-8-15)11-17-12-14-5-9-16(19-2)10-6-14/h3-10,17H,11-12H2,1-2H3

Weigh it out

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

Names and synonyms

6 names

Benzenemethanamine, 4-methoxy-N-[(4-methoxyphenyl)methyl]-
Dibenzylamine, 4,4′-dimethoxy-
4-Methoxy-N-[(4-methoxyphenyl)methyl]benzenemethanamine
N,N-Bis(4-methoxybenzyl)amine
N-(4-Methoxybenzyl)-1-(4-methoxyphenyl)methanamine
1-(4-Methoxyphenyl)-N-[(4-methoxyphenyl)methyl]methanamine

Work with Bis(4-methoxybenzyl)amine

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.

Bis(4-methoxybenzyl)amine hcl salt854391-95-0Salt

Similar compounds

N-Ethyl-4-methoxybenzylamine22993-76-677 % similar N-Methyl-4-methoxybenzylamine702-24-969 % similar (4-Methoxybenzyl)hydrazine hydrochloride2011-48-560 % similar 1-Ethyl-4-methoxybenzene1515-95-358 % similar 1,4-Dimethoxybenzene150-78-757 % similar 4-Propylanisole104-45-056 % similar Anisyl alcohol105-13-556 % similar 4-Methoxybenzylamine2393-23-956 % similar

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

Elsewhere

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