3,4-Dimethyldiphenylamine

C₁₄H₁₅NCAS 17802-36-7197.28 g/mol

Open in Covalent MOL file

Secondary amine

Properties

Molecular formula: C₁₄H₁₅N
Molar mass: 197.28 g/mol
Exact mass: 197.1204 Da
logP: 4.05Crippen estimate
Polar surface area: 12.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 2

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers

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

Precautionary statements

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364

Identifiers

CAS number

17802-36-7

SMILES

CC1=C(C=C(C=C1)NC2=CC=CC=C2)C

InChIKey

ACWJKFBBRPYPLL-UHFFFAOYSA-N

InChI

InChI=1S/C14H15N/c1-11-8-9-14(10-12(11)2)15-13-6-4-3-5-7-13/h3-10,15H,1-2H3

Weigh it out

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

Work with 3,4-Dimethyldiphenylamine

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

Bis-(3,4-dimethyl-phenyl)-amine55389-75-878 % similar 3-Methyldiphenylamine1205-64-757 % similar N,N′-Diphenyl-p-phenylenediamine74-31-757 % similar 4-Methyldiphenylamine620-84-856 % similar Diphenylamine122-39-452 % similar N-Phenyl-2-naphthylamine135-88-652 % similar N,N′-Diphenylbenzidine531-91-950 % similar m,m'-Ditolylamine626-13-150 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Dibenzylamine103-49-1 2-(Naphthalen-1-yl)pyrrolidine121193-91-7 N-(Diphenylmethyl)methylamine14683-47-7 4-(3-Phenylpropyl)pyridine2057-49-0 2-(3-Phenylpropyl)pyridine2110-18-1 2,4-Dimethyldiphenylamine25078-04-0 1,2-Diphenylethylamine25611-78-3 2,2-Diphenylethylamine3963-62-0

Elsewhere

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