chempirical

[2-(2-Ethyl-1-piperidinyl)phenyl]methanamine

C14H22N2CAS 1094828-99-5218.34 g/mol

Open in Covalent MOL file
NNH2
Primary amineTertiary amine

Properties

Molecular formula
C14H22N2
Molar mass
218.34 g/mol
Exact mass
218.1783 Da
logP
2.91Crippen estimate
Polar surface area
29.3 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
3

Identifiers

CAS number
1094828-99-5
SMILES
CCC1CCCCN1C2=CC=CC=C2CN
InChIKey
MSARTHKMBLJENO-UHFFFAOYSA-N
InChI
InChI=1S/C14H22N2/c1-2-13-8-5-6-10-16(13)14-9-4-3-7-12(14)11-15/h3-4,7,9,13H,2,5-6,8,10-11,15H2,1H3

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

Work with [2-(2-Ethyl-1-piperidinyl)phenyl]methanamine

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-cyclohexyl-N-ethylaniline1021237-25-168 % similar 2-(Aminomethyl)-N,N-dipropylaniline1020969-90-748 % similar 2-(Aminomethyl)-N-butyl-N-methylaniline1020988-06-047 % similar 2-[2-(Aminomethyl)(ethyl)anilino]-1-ethanol1178469-53-843 % similar 1-[2-(Aminomethyl)phenyl]-3-pyrrolidinol1220033-92-043 % similar 5-(2-Ethyl-1-piperidinyl)-2-(methylsulfonyl)benzenamine1220021-46-440 % similar 2-Methylbenzylamine89-93-034 % similar 2-Ethoxybenzenemethanamine37806-29-433 % similar

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

Elsewhere

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