1-(2-methoxyphenyl)pyrrolidin-3-amine

• ChemBase ID: 237402
• Molecular Formular: C11H16N2O
• Molecular Mass: 192.25754
• Monoisotopic Mass: 192.12626314
• SMILES: N1(c2c(OC)cccc2)CC(CC1)N
• Canonical SMILES: COc1ccccc1N1CCC(C1)N
• InChI: InChI=1S/C11H16N2O/c1-14-11-5-3-2-4-10(11)13-7-6-9(12)8-13/h2-5,9H,6-8,12H2,1H3
• InChIKey: MACLZMOAKUFMLH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-methoxyphenyl)pyrrolidin-3-amine
• IUPAC Traditional name: 1-(2-methoxyphenyl)pyrrolidin-3-amine
• Synonyms: 1-(2-methoxyphenyl)pyrrolidin-3-amine

Database IDs

• MDL Number: MFCD11640626
• PubChem SID: 164293312
• PubChem CID: 11171528

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.9369147
• LogD (pH = 7.4): -1.2599347
• Log P: 1.0748365
• Molar Refractivity: 57.4662 cm^3
• Polarizability: 22.153376 Å^3
• Polar Surface Area: 38.49 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.188

Product Information

• Purity: 95%