2-(3-Methoxyphenyl)pyrrolidine

C₁₁H₁₅NOCAS 103861-77-4177.25 g/mol

Open in Covalent MOL file

Ether Secondary amine

Properties

Molecular formula: C₁₁H₁₅NO
Molar mass: 177.25 g/mol
Exact mass: 177.1154 Da
logP: 2.12Crippen estimate
Polar surface area: 21.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% 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+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

103861-77-4

SMILES

COC1=CC=CC(=C1)C2CCCN2

InChIKey

QGKFYRMABWIOIW-UHFFFAOYSA-N

InChI

InChI=1S/C11H15NO/c1-13-10-5-2-4-9(8-10)11-6-3-7-12-11/h2,4-5,8,11-12H,3,6-7H2,1H3

Weigh it out

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Work with 2-(3-Methoxyphenyl)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-(4-Methoxy-phenyl)-pyrrolidine74190-66-267 % similar 2-(3-Fluorophenyl)pyrrolidine298690-72-958 % similar 2-(3-Chlorophenyl)pyrrolidine298690-74-158 % similar (R)-2-(3-Fluorophenyl)pyrrolidine920274-03-958 % similar (S)-2-(3-Fluorophenyl)pyrrolidine920274-04-058 % similar 2-Phenylpyrrolidine1006-64-054 % similar 2-Phenylpiperidine3466-80-649 % similar 2-(3-Methoxyphenyl)cyclohexanone15547-89-448 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(3S)-1-(Phenylmethyl)-3-pyrrolidinol101385-90-4 (R)-(+)-1-Benzyl-3-pyrrolidinol101930-07-8 4-N-Butylbenzamide107377-07-1 4-(Diethylamino)benzaldehyde120-21-8 N,N-Diethylbenzamide1696-17-9 1-Propanol,2-methyl-2-[(phenylmethylene)amino]-22563-90-2 4-Phenoxypiperidine3202-33-3 N-tert-Butyl-α-phenylnitrone3376-24-7

Elsewhere

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