N-(3-methoxyphenyl)pyrrolidin-3-amine

• ChemBase ID: 34574
• Molecular Formular: C11H16N2O
• Molecular Mass: 192.25754
• Monoisotopic Mass: 192.12626314
• SMILES: N1CC(CC1)Nc1cccc(c1)OC
• Canonical SMILES: COc1cccc(c1)NC1CNCC1
• InChI: InChI=1S/C11H16N2O/c1-14-11-4-2-3-9(7-11)13-10-5-6-12-8-10/h2-4,7,10,12-13H,5-6,8H2,1H3
• InChIKey: RRDUJBANMNTWGQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3-methoxyphenyl)pyrrolidin-3-amine
• IUPAC Traditional name: N-(3-methoxyphenyl)pyrrolidin-3-amine
• Synonyms: N-(3-Methoxyphenyl)pyrrolidin-3-amine

Database IDs

• MDL Number: MFCD06740354
• PubChem SID: 160997881
• PubChem CID: 25219520

CALCULATED PROPERTIES

• Molar Refractivity: 58.006 cm^3
• Polarizability: 22.15313 Å^3
• Polar Surface Area: 33.29 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.361714
• LogD (pH = 7.4): -1.9690342
• Log P: 0.87215114

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false