Benzyl(furan-2-ylmethyl)amine

C₁₂H₁₃NOCAS 4439-53-6187.24 g/mol

Open in Covalent MOL file

Secondary amine

Properties

Molecular formula: C₁₂H₁₃NO
Molar mass: 187.24 g/mol
Exact mass: 187.0997 Da
logP: 2.57Crippen estimate
Polar surface area: 25.2 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 4

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from the 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

4439-53-6

SMILES

C1=CC=C(C=C1)CNCC2=CC=CO2

InChIKey

WDTGNYDDCJERKR-UHFFFAOYSA-N

InChI

InChI=1S/C12H13NO/c1-2-5-11(6-3-1)9-13-10-12-7-4-8-14-12/h1-8,13H,9-10H2

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Names and synonyms

1 names

Benzyl-furan-2-ylmethyl-amine

Work with Benzyl(furan-2-ylmethyl)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

Similar compounds

Dibenzylamine103-49-160 % similar Benzathine140-28-350 % similar Benzylphenethylamine3647-71-047 % similar Ethylbenzylamine14321-27-845 % similar Benzylethanolamine104-63-244 % similar [(Furan-2-yl)methyl]thiourea56541-07-243 % similar N-Benzylethylenediamine4152-09-442 % similar Difurfuryl sulfide13678-67-642 % similar

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

Same formula

3-(Phenylamino)-2-cyclohexen-1-one24706-50-1 6-Ethoxy-2-methylquinoline6628-28-0

Elsewhere

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