chempirical

3,5-Dimethylbenzenemethanamine

C9H13NCAS 78710-55-1135.21 g/mol

Open in Covalent MOL file
H2N
Primary amine

Properties

Molecular formula
C9H13N
Molar mass
135.21 g/mol
Exact mass
135.1048 Da
logP
1.76Crippen estimate
Polar surface area
26.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Identifiers

CAS number
78710-55-1
SMILES
Cc1cc(C)cc(CN)c1
InChIKey
DZBHNPJZCQWUCG-UHFFFAOYSA-N
InChI
InChI=1S/C9H13N/c1-7-3-8(2)5-9(4-7)6-10/h3-5H,6,10H2,1-2H3

Weigh it out

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

Names and synonyms

3 names
  • Benzenemethanamine, 3,5-dimethyl-
  • (3,5-Dimethylphenyl)methanamine
  • 3,5-Dimethylbenzylamine

Work with 3,5-Dimethylbenzenemethanamine

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-Methylbenzylamine100-81-260 % similar 4-Methylbenzylamine104-84-757 % similar Mesitylene108-67-850 % similar 3,5-Dimethylbenzyl alcohol27129-87-950 % similar 3,5-Dimethylbenzyl chloride2745-54-250 % similar 2,5-Dimethylbenzenemethanamine93-48-146 % similar 3,5-Dimethylbenzeneacetonitrile39101-54-746 % similar 3,5-Difluorobenzylamine90390-27-544 % similar

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

Same formula

N-Ethyl-M-toluidine102-27-2 3,4-Dimethylbenzenemethanamine102-48-7 Dimethylbenzylamine103-83-3 Dimethyl-M-toluidine121-72-2 2,4,5-Trimethylaniline137-17-7 Ethylbenzylamine14321-27-8 2-Propylaniline1821-39-2 (αS)-N,α-Dimethylbenzenemethanamine19131-99-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook