Bis-(3,4-dimethyl-phenyl)-amine

C₁₆H₁₉NCAS 55389-75-8225.33 g/mol

Open in Covalent MOL file

Secondary amine

Properties

Molecular formula: C₁₆H₁₉N
Molar mass: 225.33 g/mol
Exact mass: 225.1517 Da
logP: 4.66Crippen 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

55389-75-8

SMILES

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

InChIKey

IMQQPEKHINRTCE-UHFFFAOYSA-N

InChI

InChI=1S/C16H19N/c1-11-5-7-15(9-13(11)3)17-16-8-6-12(2)14(4)10-16/h5-10,17H,1-4H3

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Names and synonyms

1 names

Bis(3,4-dimethylphenyl)amine

Work with Bis-(3,4-dimethyl-phenyl)-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

3,4-Dimethyldiphenylamine17802-36-778 % similar 3,4-Dimethylphenylhydrazine hydrochloride60481-51-858 % similar 3,4-Dimethylphenylhydrazine hydrochloride86746-50-158 % similar N-(1-Ethylpropyl)-3,4-dimethylbenzenamine56038-89-252 % similar 1,2,4-Trimethylbenzene95-63-648 % similar 1-Iodo-3,4-dimethylbenzene31599-61-846 % similar 1,4,6,7-Tetramethylnaphthalene13764-18-645 % similar 3,4-Dimethylbenzenethiol18800-53-844 % similar

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

Same formula

N-Ethyl-N-(3-methylphenyl)benzenemethanamine119-94-8 N-(2,4-Dimethylphenyl)-2,4-dimethylbenzenamine19616-28-5 N-Methyl-γ-phenylbenzenepropanamine28075-29-8 (4-tert-Butyl-phenyl)-phenyl-amine4496-49-5 4-[trans-4-(1E)-1-Propen-1-ylcyclohexyl]benzonitrile96184-40-6

Elsewhere

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