[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methanamine

• ChemBase ID: 278418
• Molecular Formular: C13H20N2O2
• Molecular Mass: 236.3101
• Monoisotopic Mass: 236.15247789
• SMILES: c1(CN2CCOCC2)c(ccc(c1)CN)OC
• Canonical SMILES: NCc1ccc(c(c1)CN1CCOCC1)OC
• InChI: InChI=1S/C13H20N2O2/c1-16-13-3-2-11(9-14)8-12(13)10-15-4-6-17-7-5-15/h2-3,8H,4-7,9-10,14H2,1H3
• InChIKey: ZAXKUGYPOYLLAC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methanamine
• IUPAC Traditional name: [4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methanamine
• Synonyms: [4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methanamine

Database IDs

• MDL Number: MFCD06801574
• PubChem SID: 164334328
• PubChem CID: 46785409

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -3.1583831
• LogD (pH = 7.4): -1.3906537
• Log P: 0.6642393
• Molar Refractivity: 68.6118 cm^3
• Polarizability: 26.903637 Å^3
• Polar Surface Area: 47.72 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.76

Product Information

• Purity: 95%