(3-amino-3-phenylpropyl)(2-methoxyethyl)methylamine

• ChemBase ID: 269743
• Molecular Formular: C13H22N2O
• Molecular Mass: 222.32658
• Monoisotopic Mass: 222.17321333
• SMILES: C(C(c1ccccc1)N)CN(CCOC)C
• Canonical SMILES: COCCN(CCC(c1ccccc1)N)C
• InChI: InChI=1S/C13H22N2O/c1-15(10-11-16-2)9-8-13(14)12-6-4-3-5-7-12/h3-7,13H,8-11,14H2,1-2H3
• InChIKey: KKNYJWAJPJRWHC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3-amino-3-phenylpropyl)(2-methoxyethyl)methylamine
• IUPAC Traditional name: (3-amino-3-phenylpropyl)(2-methoxyethyl)methylamine
• Synonyms: (3-amino-3-phenylpropyl)(2-methoxyethyl)methylamine

Database IDs

• MDL Number: MFCD14664734
• PubChem SID: 164325653
• PubChem CID: 50989304

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -4.2392216
• LogD (pH = 7.4): -1.766633
• Log P: 1.19041
• Molar Refractivity: 68.1296 cm^3
• Polarizability: 26.989399 Å^3
• Polar Surface Area: 38.49 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.818

Product Information

• Purity: 95%