chempirical

2,5-Dimethylbenzenemethanamine

C9H13NCAS 93-48-1135.21 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
93-48-1
SMILES
Cc1ccc(C)c(CN)c1
InChIKey
LUJNPFWZXIGIPS-UHFFFAOYSA-N
InChI
InChI=1S/C9H13N/c1-7-3-4-8(2)9(5-7)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

5 names
  • Benzenemethanamine, 2,5-dimethyl-
  • Benzylamine, 2,5-dimethyl-
  • 2,5-Dimethylbenzylamine
  • N-[(2,5-Dimethylphenyl)methyl]amine
  • (2,5-Dimethylphenyl)methanamine

Work with 2,5-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

2,4-Dimethylbenzenemethanamine94-98-470 % similar 2,5-Dimethylbenzyl chloride824-45-361 % similar 5-Fluoro-2-methylbenzenemethanamine261951-69-360 % similar 2,5-Dimethylbenzyl alcohol53957-33-859 % similar 2-Methylbenzylamine89-93-054 % similar 2,5-Dimethylbenzeneacetonitrile16213-85-753 % similar 4-Methylbenzylamine104-84-752 % similar 3-Methylbenzylamine100-81-250 % 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

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