(R)-(-)-2-(Anilinomethyl)pyrrolidine

C₁₁H₁₆N₂CAS 68295-45-4176.26 g/mol

Open in Covalent MOL file

Secondary amine

Properties

Molecular formula: C₁₁H₁₆N₂
Molar mass: 176.26 g/mol
Exact mass: 176.1313 Da
logP: 1.85Crippen estimate
Polar surface area: 24.1 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 3
Stereocentres: Rin SMILES atom order

Hazards

Danger

H302 Harmful if swallowed90.5% of notifiers
H315 Causes skin irritation90.5% of notifiers
H318 Causes serious eye damage90.5% of notifiers
H335 May cause respiratory irritation90.5% of notifiers

Aggregated from 42 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

68295-45-4

SMILES

C1C[C@@H](NC1)CNC2=CC=CC=C2

InChIKey

MCHWKJRTMPIHRA-LLVKDONJSA-N

InChI

InChI=1S/C11H16N2/c1-2-5-10(6-3-1)13-9-11-7-4-8-12-11/h1-3,5-6,11-13H,4,7-9H2/t11-/m1/s1

Weigh it out

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

Work with (R)-(-)-2-(Anilinomethyl)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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

(2S)-N-Phenyl-2-pyrrolidinemethanamine64030-44-0Enantiomer

Similar compounds

(S)-(+)-2-(2,6-Xylidinomethyl)pyrrolidine70371-56-156 % similar 2-Benzylpiperidine32838-55-452 % similar N-Cyclohexylbenzenamine1821-36-947 % similar N,N'-Diphenylethylenediamine150-61-846 % similar 2-Phenylpyrrolidine1006-64-045 % similar (2S)-2-(Diphenylmethyl)pyrrolidine119237-64-843 % similar (R)-(+)-2-(Diphenylmethyl)pyrrolidine22348-31-843 % similar Benzylaniline103-32-242 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

(3S)-(+)-1-Benzyl-3-aminopyrrolidine114715-38-7 (3R)-1-Benzylpyrrolidin-3-amine114715-39-8 1-Benzyl-3-aminopyrrolidine18471-40-4 4-(Piperidin-1-yl)aniline2359-60-6 1-Benzylpiperazine2759-17-3 1-Benzylpiperazine2759-28-6 1-(2-Methylphenyl)piperazine39512-51-1 1-(4-Methylphenyl)piperazine39593-08-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook