2-Benzyloxyaniline

C₁₃H₁₃NOCAS 20012-63-9199.25 g/mol

Open in Covalent MOL file

Ether Primary amine

Properties

Molecular formula: C₁₃H₁₃NO
Molar mass: 199.25 g/mol
Exact mass: 199.0997 Da
Melting point: 39–40 °C
Boiling point: 186–187 °C (at 13 Torr)
logP: 2.85Crippen estimate
Polar surface area: 35.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 3

Hazards

Warning

H302 Harmful if swallowed10.9% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.8% of notifiers

Aggregated from 46 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

20012-63-9

SMILES

Nc1ccccc1OCc1ccccc1

InChIKey

PLPVLSBYYOWFKM-UHFFFAOYSA-N

InChI

InChI=1S/C13H13NO/c14-12-8-4-5-9-13(12)15-10-11-6-2-1-3-7-11/h1-9H,10,14H2

Weigh it out

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

Names and synonyms

11 names

Benzenamine, 2-(phenylmethoxy)-
Aniline, o-(benzyloxy)-
2-(Phenylmethoxy)benzenamine
2-Aminophenyl benzyl ether
o-(Benzyloxy)aniline
o-Aminophenyl benzyl ether
O-Benzyl-o-aminophenol
2-(Benzyloxy)phenylamine
NSC 46882
2-(Benzyloxy)benzenamine
2-Phenylmethoxyaniline

Work with 2-Benzyloxyaniline

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

2,2′-[1,2-Ethanediylbis(oxy)]bis[benzenamine]52411-34-463 % similar 2-Ethoxyaniline94-70-257 % similar 2-Amino-3-benzyloxypyridine24016-03-356 % similar 2-Benzyloxyphenol6272-38-455 % similar 4-Benzyloxyaniline6373-46-252 % similar 2-Benzyloxyphenylboronic acid190661-29-150 % similar 2-Phenoxyaniline2688-84-850 % similar 2-(Benzyloxy)benzaldehyde5896-17-350 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Methoxydiphenylamine101-16-6 4-(Benzylamino)phenol103-14-0 4-Phenoxybenzenemethanamine107622-80-0 N-(4-Methoxyphenyl)aniline1208-86-2 2-Aminobenzhydrol13209-38-6 3-(Benzyloxy)aniline1484-26-0 4-Oxo-1-phenylcyclohexanecarbonitrile25115-74-6 1,2,3,9-Tetrahydro-9-methyl-4H-carbazol-4-one27387-31-1

Elsewhere

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