(4-Benzyl-1,4-oxazinan-2-yl)methylamine

C₁₂H₁₈N₂OCAS 110859-47-7206.29 g/mol

Open in Covalent MOL file

Ether Primary amine Tertiary amine

Properties

Molecular formula: C₁₂H₁₈N₂O
Molar mass: 206.29 g/mol
Exact mass: 206.1419 Da
logP: 0.85Crippen estimate
Polar surface area: 38.5 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 3

Hazards

Danger

H301 Toxic if swallowed50% of notifiers
H314 Causes severe skin burns and eye damage50% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P270, P280, P301+P316, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, P501

Identifiers

CAS number

110859-47-7

SMILES

C1COC(CN1CC2=CC=CC=C2)CN

InChIKey

CKZVBXBEDDAEFE-UHFFFAOYSA-N

InChI

InChI=1S/C12H18N2O/c13-8-12-10-14(6-7-15-12)9-11-4-2-1-3-5-11/h1-5,12H,6-10,13H2

Weigh it out

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

Names and synonyms

1 names

(4-Benzylmorpholin-2-yl)methanamine

Work with (4-Benzyl-1,4-oxazinan-2-yl)methylamine

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-Aminomethyl-4-(4-fluorobenzyl)morpholine112914-13-372 % similar 4-(Phenylmethyl)-2-morpholinemethanol40987-24-468 % similar 4-Benzyl-2-(chloromethyl)morpholine40987-25-568 % similar (1-Benzylpyrrolidin-3-yl)methanamine93138-61-556 % similar 4-Benzylmorpholine-2-carbonitrile126645-52-156 % similar (1-Benzyl-4-piperidinyl)methylamine88915-26-851 % similar 4-Benzylmorpholine-2-carboxylic acid769087-80-151 % similar 4-(Phenylmethyl)-2-morpholinecarboxylic acid methyl ester135782-29-549 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(2-(4-Methylpiperazin-1-yl)phenyl)methanol123987-12-2 1-(2-Ethoxyphenyl)piperazine13339-01-0 1-(2-Phenoxyethyl)piperazine13484-37-2 1-((4-Methoxyphenyl)methyl)piperazine21867-69-6 Isoproturon34123-59-6 1-(4-Ethoxyphenyl)piperazine46415-29-6 N-[3-(Diethylamino)phenyl]acetamide6375-46-8 4-N-Benzyl-2-hydroxymethylpiperazine85817-34-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook