chempirical

4-Benzyloxyaniline

C13H13NOCAS 6373-46-2199.25 g/mol

Open in Covalent MOL file
H2NO
EtherPrimary amine

Properties

Molecular formula
C13H13NO
Molar mass
199.25 g/mol
Exact mass
199.0997 Da
Melting point
54–55 °C
Boiling point
161–164 °C (at 0.25 Torr)
logP
2.85Crippen estimate
Polar surface area
35.3 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
3

Identifiers

CAS number
6373-46-2
SMILES
Nc1ccc(OCc2ccccc2)cc1
InChIKey
FIIDVVUUWRJXLF-UHFFFAOYSA-N
InChI
InChI=1S/C13H13NO/c14-12-6-8-13(9-7-12)15-10-11-4-2-1-3-5-11/h1-9H,10,14H2

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Names and synonyms

10 names
  • Benzenamine, 4-(phenylmethoxy)-
  • Aniline, p-(benzyloxy)-
  • 4-(Phenylmethoxy)benzenamine
  • p-(Benzyloxy)aniline
  • 4-Aminophenyl benzyl ether
  • p-Aminophenyl benzyl ether
  • NSC 59995
  • 4-(Phenylmethoxy)aniline
  • 4-Benzyloxyphenylamine
  • 4-(Benzyloxy)benzenamine

Work with 4-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

4-(Phenylmethoxy)aniline hydrochloride51388-20-688 % similar Hydroquinone dibenzyl ether621-91-078 % similar Monobenzone103-16-262 % similar 1-Fluoro-4-(phenylmethoxy)benzene370-78-562 % similar 1-(Benzyloxy)-4-bromobenzene6793-92-662 % similar 4-Benzyloxybenzyl chloride836-42-060 % similar 4-(Benzyloxy)benzyl alcohol836-43-160 % similar 4-(Phenylmethoxy)benzeneethanol61439-59-658 % 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 2-Benzyloxyaniline20012-63-9 4-Oxo-1-phenylcyclohexanecarbonitrile25115-74-6

Elsewhere

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