4-[Ethyl(phenylmethyl)amino]benzaldehyde

C₁₆H₁₇NOCAS 67676-47-5239.32 g/mol

Open in Covalent MOL file

Aldehyde Tertiary amine

Properties

Molecular formula: C₁₆H₁₇NO
Molar mass: 239.32 g/mol
Exact mass: 239.1310 Da
Melting point: 296–298 °C
logP: 3.53Crippen estimate
Polar surface area: 20.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 5

Hazards

Warning

H302 Harmful if swallowed50% of notifiers
H315 Causes skin irritation50% of notifiers
H319 Causes serious eye irritation50% of notifiers
H335 May cause respiratory irritation50% of notifiers

Aggregated from 2 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

67676-47-5

SMILES

CCN(Cc1ccccc1)c1ccc(C=O)cc1

InChIKey

YVBIDCBDRUUGEA-UHFFFAOYSA-N

InChI

InChI=1S/C16H17NO/c1-2-17(12-14-6-4-3-5-7-14)16-10-8-15(13-18)9-11-16/h3-11,13H,2,12H2,1H3

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Names and synonyms

3 names

Benzaldehyde, 4-[ethyl(phenylmethyl)amino]-
4-(Benzylethylamino)benzaldehyde
NSC 135484

Work with 4-[Ethyl(phenylmethyl)amino]benzaldehyde

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-(Diethylamino)benzaldehyde120-21-870 % similar Ethylbenzylaniline92-59-167 % similar 4-(4-Benzylpiperazin-1-yl)benzaldehyde166438-88-664 % similar p-((2-Chloroethyl)ethylamino)benzaldehyde2643-07-459 % similar N-Ethyl-N-(3-methylphenyl)benzenemethanamine119-94-851 % similar 4-(N,N-Diphenylamino)benzaldehyde4181-05-950 % similar 4,4'-(Phenylimino)bisbenzaldehyde53566-95-350 % similar 4-[(Ethylphenylamino)methyl]benzenesulfonic acid92-60-449 % similar

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

Same formula

1-Benzhydrylazetidin-3-ol18621-17-5 1-Benzhydrylazetan-3-ol40432-51-7 Diphenamid957-51-7

Elsewhere

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