(1-Benzylpyrrolidin-3-yl)methanamine

C₁₂H₁₈N₂CAS 93138-61-5190.29 g/mol

Open in Covalent MOL file

Primary amine Tertiary amine

Properties

Molecular formula: C₁₂H₁₈N₂
Molar mass: 190.29 g/mol
Exact mass: 190.1470 Da
logP: 1.47Crippen estimate
Polar surface area: 29.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 3

Hazards

Danger

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation100% of notifiers
H318 Causes serious eye damage100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

93138-61-5

SMILES

C1CN(CC1CN)CC2=CC=CC=C2

InChIKey

SUAKIVNGQVUKJA-UHFFFAOYSA-N

InChI

InChI=1S/C12H18N2/c13-8-12-6-7-14(10-12)9-11-4-2-1-3-5-11/h1-5,12H,6-10,13H2

Weigh it out

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

Names and synonyms

1 names

C-(1-Benzyl-pyrrolidin-3-yl)-methylamine

Work with (1-Benzylpyrrolidin-3-yl)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

(1-Benzyl-4-piperidinyl)methylamine88915-26-881 % similar 1-Benzylpyrrolidin-3-yl-methanol5731-17-966 % similar 2-(1-Benzylpiperidin-4-yl)ethan-1-amine86945-25-763 % similar (3S)-(+)-1-Benzyl-3-aminopyrrolidine114715-38-760 % similar (3R)-1-Benzylpyrrolidin-3-amine114715-39-860 % similar 1-Benzyl-3-aminopyrrolidine18471-40-460 % similar (4-Benzyl-1,4-oxazinan-2-yl)methylamine110859-47-756 % similar (3S)-1-(Phenylmethyl)-3-pyrrolidinol101385-90-456 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-(2,6-Dimethylphenyl)piperazine1012-91-5 1-(2,3-Dimethylphenyl)piperazine1013-22-5 1-(2,5-Dimethylphenyl)piperazine1013-25-8 1-(2,4-Dimethylphenyl)piperazine1013-76-9 1-(3,4-Dimethylphenyl)piperazine1014-05-7 (R)-3-Amino-1-benzylpiperidine168466-84-0 (3S)-1-(Phenylmethyl)-3-piperidinamine168466-85-1 (3S)-(+)-1-Benzyl-3-(methylamino)pyrrolidine169749-99-9

Elsewhere

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