chempirical

3-Amino-N-methylbenzenemethanamine

C8H12N2CAS 18759-96-1136.20 g/mol

Open in Covalent MOL file
NHNH2
Primary amineSecondary amine

Properties

Molecular formula
C8H12N2
Molar mass
136.20 g/mol
Exact mass
136.1000 Da
logP
0.99Crippen estimate
Polar surface area
38.0 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
2

Identifiers

CAS number
18759-96-1
SMILES
CNCc1cccc(N)c1
InChIKey
HBLPYXIZPMDWIO-UHFFFAOYSA-N
InChI
InChI=1S/C8H12N2/c1-10-6-7-3-2-4-8(9)5-7/h2-5,10H,6,9H2,1H3

Weigh it out

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

Names and synonyms

10 names
  • Benzenemethanamine, 3-amino-N-methyl-
  • Toluene-α,3-diamine, N-methyl-
  • Methyl(3-aminobenzyl)amine
  • 3-Amino-N-methylbenzylamine
  • N-Methyl-m-aminobenzylamine
  • N-Methyltoluene-α,3-diamine
  • (3-Aminobenzyl)methylamine
  • 3-[(Methylamino)methyl]aniline
  • N-Methyl-3-aminobenzylamine
  • 3-Methylaminomethyl-phenylamine

Work with 3-Amino-N-methylbenzenemethanamine

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

4-Amino-N-methylbenzenemethanamine38020-69-859 % similar 3-Aminobenzyl alcohol1877-77-657 % similar 3-Ethylaniline587-02-057 % similar N-Methylbenzylamine103-67-354 % similar 3-Aminobenzylamine4403-70-753 % similar M-Phenylenediamine108-45-246 % similar N-Methyl-3-pyridinemethanamine20173-04-044 % similar 4-Chloro-N-methylbenzenemethanamine104-11-044 % similar

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

Same formula

Tetramethylpyrazine1124-11-4 2,5-Diethylpyrazine13238-84-1 2-(4-Aminophenyl)ethylamine13472-00-9 2-Ethyl-3,5-dimethylpyrazine13925-07-0 M-Xylylenediamine1477-55-0 2,3-Diethylpyrazine15707-24-1 2,3-Dimethyl-5-ethylpyrazine15707-34-3 2-Methyl-3-propylpyrazine15986-80-8

Elsewhere

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