2-(2-Methylphenyl)pyrrolidine

C11H15NCAS 129540-23-4161.25 g/mol

Open in Covalent MOL file
NH
Secondary amine

Properties

Molecular formula
C11H15N
Molar mass
161.25 g/mol
Exact mass
161.1204 Da
logP
2.42Crippen estimate
Polar surface area
12.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 2 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+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
129540-23-4
SMILES
CC1=CC=CC=C1C2CCCN2
InChIKey
RSXCTIINURQYGA-UHFFFAOYSA-N
InChI
InChI=1S/C11H15N/c1-9-5-2-3-6-10(9)11-7-4-8-12-11/h2-3,5-6,11-12H,4,7-8H2,1H3

Weigh it out

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

Work with 2-(2-Methylphenyl)pyrrolidine

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-(2-Bromophenyl)pyrrolidine129540-24-561 % similar 2-(2-Chlorophenyl)pyrrolidine129540-21-259 % similar 2-(2-Fluorophenyl)pyrrolidine72216-04-759 % similar 2-(Naphthalen-1-yl)pyrrolidine121193-91-757 % similar 2-Phenylpyrrolidine1006-64-053 % similar 2-(2-Pyrrolidinyl)pyridine77790-61-550 % similar (S)-(+)-2-(2,6-Xylidinomethyl)pyrrolidine70371-56-146 % similar 2-(Furan-2-yl)pyrrolidine90086-89-844 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(Dimethylaminomethyl)styrene2245-52-5 1-Cyanoadamantane23074-42-2 2-Phenylpiperidine3466-80-6 Adamantane-2-carbonitrile35856-00-9 3-Phenylpiperidine3973-62-4 N-Phenylpiperidine4096-20-2 4-Phenylpiperidine771-99-3

Elsewhere

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