chempirical

2,3-Dimethylbenzylamine

C9H13NCAS 51586-20-0135.21 g/mol

Open in Covalent MOL file
NH2
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

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
51586-20-0
SMILES
CC1=C(C(=CC=C1)CN)C
InChIKey
UKLRWOHZBISUMI-UHFFFAOYSA-N
InChI
InChI=1S/C9H13N/c1-7-4-3-5-9(6-10)8(7)2/h3-5H,6,10H2,1-2H3

Weigh it out

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

Names and synonyms

1 names
  • (2,3-Dimethylphenyl)methanamine

Work with 2,3-Dimethylbenzylamine

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

2-Methylbenzylamine89-93-065 % similar 2,3-Dimethylbenzenemethanol13651-14-459 % similar 1,2,3-Trimethylbenzene526-73-854 % similar 2-(2,3-Dimethylphenyl)acetic acid30981-98-753 % similar 2-Methylphenethylamine55755-16-350 % similar 2,3-Xylidine87-59-250 % similar 1-Iodo-2,3-dimethylbenzene31599-60-745 % similar 1-Bromo-2,3-dimethylbenzene576-23-845 % 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 (2S)-2-Phenylpropan-1-amine17596-79-1 2-Propylaniline1821-39-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook