1-[2-(Aminomethyl)phenyl]-3-pyrrolidinol

C₁₁H₁₆N₂OCAS 1220033-92-0192.26 g/mol

Open in Covalent MOL file

Alcohol Primary amine Tertiary amine

Properties

Molecular formula: C₁₁H₁₆N₂O
Molar mass: 192.26 g/mol
Exact mass: 192.1263 Da
logP: 0.72Crippen estimate
Polar surface area: 49.5 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 2

Identifiers

CAS number

1220033-92-0

SMILES

C1CN(CC1O)C2=CC=CC=C2CN

InChIKey

LTBPBFJZHZJYOR-UHFFFAOYSA-N

InChI

InChI=1S/C11H16N2O/c12-7-9-3-1-2-4-11(9)13-6-5-10(14)8-13/h1-4,10,14H,5-8,12H2

Weigh it out

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

Names and synonyms

1 names

1-[2-(Aminomethyl)phenyl]pyrrolidin-3-ol

Work with 1-[2-(Aminomethyl)phenyl]-3-pyrrolidinol

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-dipropylaniline1020969-90-751 % similar 2-[2-(Aminomethyl)(ethyl)anilino]-1-ethanol1178469-53-849 % similar [2-(2-Ethyl-1-piperidinyl)phenyl]methanamine1094828-99-543 % similar 2-(Aminomethyl)-N-cyclohexyl-N-ethylaniline1021237-25-142 % similar (3S)-1-(Phenylmethyl)-3-pyrrolidinol101385-90-440 % similar (R)-(+)-1-Benzyl-3-pyrrolidinol101930-07-840 % similar 1-(Phenylmethyl)-3-pyrrolidinol775-15-540 % similar 2-(Aminomethyl)-N-butyl-N-methylaniline1020988-06-040 % similar

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

Same formula

2-Amino-N-tert-butylbenzamide1203-89-0 1-(3-Methoxyphenyl)piperazine16015-71-7 1-(2-Methoxyphenyl)piperazine35386-24-4 1-(4-Methoxyphenyl)piperazine38212-30-5 Tocainide41708-72-9 4-tert-Butylbenzohydrazide43100-38-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook