chempirical

3-Phenylpyrrolidine

C10H13NCAS 936-44-7147.22 g/mol

Open in Covalent MOL file
HN
Secondary amine

Properties

Molecular formula
C10H13N
Molar mass
147.22 g/mol
Exact mass
147.1048 Da
logP
1.76Crippen estimate
Polar surface area
12.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

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
936-44-7
SMILES
C1CNCC1C2=CC=CC=C2
InChIKey
PRRFFTYUBPGHLE-UHFFFAOYSA-N
InChI
InChI=1S/C10H13N/c1-2-4-9(5-3-1)10-6-7-11-8-10/h1-5,10-11H,6-8H2

Weigh it out

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

Work with 3-Phenylpyrrolidine

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.

3-Phenyl-pyrrolidine hydrochloride857281-02-8Salt (R)-3-Phenyl-pyrrolidine hydrochloride851000-46-9Salt, defined stereoisomer

Similar compounds

3-Phenylpiperidine3973-62-477 % similar 4-Phenylpiperidine771-99-375 % similar 4-Phenylpiperidine hydrochloride10272-49-867 % similar Phenylcyclopropane873-49-454 % similar 2-Phenylpiperazine5271-26-150 % similar (S)-3-(4-Bromophenyl)piperidine1335523-82-448 % similar Cyclohexylbenzene827-52-148 % similar 4-(Diphenylmethoxy)piperidine58258-01-847 % similar

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

Same formula

2-Phenylpyrrolidine1006-64-0 2,3,4,5-Tetrahydro-1H-benzo[B]azepine1701-57-1 2-Methyltetrahydroquinoline1780-19-4 (S)-1,2,3,4-Tetrahydro-2-naphthylamine21880-87-5 1,2,3,4-Tetrahydro-1-naphthylamine2217-40-5 5,6,7,8-Tetrahydro-1-naphthylamine2217-41-6 (-)-1,2,3,4-Tetrahydro-1-naphthylamine23357-46-2 (+)-1,2,3,4-Tetrahydro-1-naphthylamine23357-52-0

Elsewhere

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