N-(1-Ethylpropyl)-3,4-dimethylbenzenamine

C₁₃H₂₁NCAS 56038-89-2191.32 g/mol

Open in Covalent MOL file

Secondary amine

Properties

Molecular formula: C₁₃H₂₁N
Molar mass: 191.32 g/mol
Exact mass: 191.1674 Da
logP: 3.90Crippen estimate
Polar surface area: 12.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 4

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled100% 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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

56038-89-2

SMILES

CCC(CC)Nc1ccc(C)c(C)c1

InChIKey

ZOTRFGNOTDLOAU-UHFFFAOYSA-N

InChI

InChI=1S/C13H21N/c1-5-12(6-2)14-13-8-7-10(3)11(4)9-13/h7-9,12,14H,5-6H2,1-4H3

Weigh it out

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

Names and synonyms

5 names

Benzenamine, N-(1-ethylpropyl)-3,4-dimethyl-
N-(1-Ethylpropyl)-3,4-xylidine
N-(1-Ethylpropyl)-3,4-dimethylaniline
3,4-Dimethyl-N-(pentan-3-yl)aniline
3,4-Dimethyl-N-pentan-3-ylaniline

Work with N-(1-Ethylpropyl)-3,4-dimethylbenzenamine

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)-amine55389-75-852 % similar 3,4-Dimethyldiphenylamine17802-36-744 % similar 3,4-Dimethylphenylhydrazine hydrochloride60481-51-844 % similar 3,4-Dimethylphenylhydrazine hydrochloride86746-50-144 % similar N,N′-Di-2-butyl-1,4-phenylenediamine101-96-239 % similar 1,2,4-Trimethylbenzene95-63-635 % similar Pendimethalin40487-42-135 % similar 1-Iodo-3,4-dimethylbenzene31599-61-834 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Heptylaniline37529-27-4 2,6-Di-tert-butylpyridine585-48-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook