1-[(4-methoxyphenyl)methyl]-1-methylguanidine

• ChemBase ID: 307472
• Molecular Formular: C10H15N3O
• Molecular Mass: 193.2456
• Monoisotopic Mass: 193.12151212
• SMILES: C(=N)(N(Cc1ccc(cc1)OC)C)N
• Canonical SMILES: COc1ccc(cc1)CN(C(=N)N)C
• InChI: InChI=1S/C10H15N3O/c1-13(10(11)12)7-8-3-5-9(14-2)6-4-8/h3-6H,7H2,1-2H3,(H3,11,12)
• InChIKey: NGCCBKPTVAYJBQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[(4-methoxyphenyl)methyl]-1-methylguanidine
• IUPAC Traditional name: 1-[(4-methoxyphenyl)methyl]-1-methylguanidine
• Synonyms: N-(4-methoxybenzyl)-N-methylguanidine

Database IDs

• MDL Number: MFCD08060015

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -1.5458921
• LogD (pH = 7.4): -1.544452
• Log P: 0.8695483
• Molar Refractivity: 67.0039 cm^3
• Polarizability: 21.363276 Å^3
• Polar Surface Area: 62.34 Å^2