chempirical

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

C13H20N2CAS 70371-56-1204.32 g/mol

Open in Covalent MOL file
NHNH
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 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
3
Stereocentres
Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

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

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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

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