2-(Aminomethyl)-N-butyl-N-methylaniline

C₁₂H₂₀N₂CAS 1020988-06-0192.31 g/mol

Open in Covalent MOL file

Primary amine Tertiary amine

Properties

Molecular formula: C₁₂H₂₀N₂
Molar mass: 192.31 g/mol
Exact mass: 192.1626 Da
logP: 2.38Crippen estimate
Polar surface area: 29.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 5

Identifiers

CAS number

1020988-06-0

SMILES

CCCCN(C)C1=CC=CC=C1CN

InChIKey

IGLVKIFKBWBVQB-UHFFFAOYSA-N

InChI

InChI=1S/C12H20N2/c1-3-4-9-14(2)12-8-6-5-7-11(12)10-13/h5-8H,3-4,9-10,13H2,1-2H3

Weigh it out

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

Work with 2-(Aminomethyl)-N-butyl-N-methylaniline

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-(Aminomethyl)-N,N-dipropylaniline1020969-90-761 % similar 2-[Butyl(methyl)amino]-N'-hydroxybenzenecarboximidamide1021244-79-050 % similar [2-(2-Ethyl-1-piperidinyl)phenyl]methanamine1094828-99-547 % similar 2-(Aminomethyl)-N-cyclohexyl-N-ethylaniline1021237-25-147 % similar 2-[2-(Aminomethyl)(ethyl)anilino]-1-ethanol1178469-53-847 % similar 1-[2-(Aminomethyl)phenyl]-3-pyrrolidinol1220033-92-040 % similar N,N-Dibutylbenzenamine613-29-639 % similar 2-Methylbenzylamine89-93-038 % similar

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

Same formula

Dodecanedinitrile4543-66-2

Elsewhere

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