(S)-(+)-2-(2,6-Xylidinomethyl)pyrrolidine

C₁₃H₂₀N₂CAS 70371-56-1204.32 g/mol

Open in Covalent MOL file

Secondary amine

Properties

Molecular formula: C₁₃H₂₀N₂
Molar mass: 204.32 g/mol
Exact mass: 204.1626 Da
logP: 2.47Crippen estimate
Polar surface area: 24.1 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 3
Stereocentres: Sin SMILES atom order

Hazards

Danger

H310 Fatal in contact with skin50% of notifiers
H315 Causes skin irritation100% of notifiers
H317 May cause an allergic skin reaction50% of notifiers
H319 Causes serious eye irritation100% of notifiers
H400 Very toxic to aquatic life50% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P262, P264, P264+P265, P270, P272, P273, P280, P302+P352, P305+P351+P338, P316, P321, P332+P317, P333+P317, P337+P317, P361+P364, P362+P364, P391, P405, P501

Identifiers

CAS number

70371-56-1

SMILES

CC1=C(C(=CC=C1)C)NC[C@@H]2CCCN2

InChIKey

UWCWUCKPEYNDNV-LBPRGKRZSA-N

InChI

InChI=1S/C13H20N2/c1-10-5-3-6-11(2)13(10)15-9-12-7-4-8-14-12/h3,5-6,12,14-15H,4,7-9H2,1-2H3/t12-/m0/s1

Weigh it out

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

Work with (S)-(+)-2-(2,6-Xylidinomethyl)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

(2S)-N-Phenyl-2-pyrrolidinemethanamine64030-44-056 % similar (R)-(-)-2-(Anilinomethyl)pyrrolidine68295-45-456 % similar 2-(2-Methylphenyl)pyrrolidine129540-23-446 % similar 2-Benzylpiperidine32838-55-438 % similar 2′,6′-Pipecoloxylidide15883-20-238 % similar (2S)-N-(2,6-Dimethylphenyl)-2-piperidinecarboxamide27262-40-438 % similar (+)-(S)-2-(Methoxymethyl)pyrrolidine63126-47-634 % similar O-Methyl-D-prolinol84025-81-034 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(αR)-N-Methyl-α-phenyl-1-pyrrolidineethanamine136329-39-0 1-Phenethyl-piperidin-4-ylamine51448-56-7 N-Methyl-1-(phenylmethyl)-4-piperidinamine7006-50-0 (1-Benzyl-4-piperidinyl)methylamine88915-26-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook