4-Phenoxybenzenemethanamine

C₁₃H₁₃NOCAS 107622-80-0199.25 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
logP: 2.94Crippen estimate
Polar surface area: 35.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 3

Hazards

Danger

H301 Toxic if swallowed16.7% of notifiers
H302 Harmful if swallowed16.7% of notifiers
H315 Causes skin irritation100% of notifiers
H318 Causes serious eye damage33.3% of notifiers
H319 Causes serious eye irritation66.7% of notifiers
H335 May cause respiratory irritation83.3% of notifiers
H400 Very toxic to aquatic life16.7% of notifiers
H410 Very toxic to aquatic life with long lasting effects16.7% of notifiers

Aggregated from 6 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P273, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, P501

Identifiers

CAS number

107622-80-0

SMILES

NCc1ccc(Oc2ccccc2)cc1

InChIKey

CCAZAGUSBMVSAR-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

5 names

Benzenemethanamine, 4-phenoxy-
4-Phenoxybenzylamine
(4-Phenoxyphenyl)methanamine
4-(Phenyloxy)benzylamine
1-(4-Phenoxyphenyl)methanamine

Work with 4-Phenoxybenzenemethanamine

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

Benzylamine100-46-961 % similar 1,4-Diphenoxybenzene3061-36-759 % similar 4-Phenylbenzylamine712-76-558 % similar (4-Phenoxyphenyl)methanol2215-78-357 % similar Diphenyl ether101-84-855 % similar P-Xylylenediamine539-48-055 % similar Benzylammonium chloride3287-99-854 % similar 4-Methoxybenzylamine2393-23-954 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Methoxydiphenylamine101-16-6 4-(Benzylamino)phenol103-14-0 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 1,2,3,9-Tetrahydro-9-methyl-4H-carbazol-4-one27387-31-1

Elsewhere

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