[4-methyl-2-(morpholin-4-yl)phenyl]methanamine

• ChemBase ID: 236657
• Molecular Formular: C12H18N2O
• Molecular Mass: 206.28412
• Monoisotopic Mass: 206.14191321
• SMILES: c1(N2CCOCC2)c(ccc(c1)C)CN
• Canonical SMILES: NCc1ccc(cc1N1CCOCC1)C
• InChI: InChI=1S/C12H18N2O/c1-10-2-3-11(9-13)12(8-10)14-4-6-15-7-5-14/h2-3,8H,4-7,9,13H2,1H3
• InChIKey: FBIJCPWLIAYGLR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [4-methyl-2-(morpholin-4-yl)phenyl]methanamine
• IUPAC Traditional name: [4-methyl-2-(morpholin-4-yl)phenyl]methanamine
• Synonyms: [4-methyl-2-(morpholin-4-yl)phenyl]methanamine

Database IDs

• MDL Number: MFCD16704799
• PubChem SID: 164292567
• PubChem CID: 62308441

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.4293123
• LogD (pH = 7.4): -0.19682714
• Log P: 1.501979
• Molar Refractivity: 63.0757 cm^3
• Polarizability: 23.930246 Å^3
• Polar Surface Area: 38.49 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.049

Product Information

• Purity: 95%