4-{[(2-methoxyethyl)(methyl)amino]methyl}pyridin-2-amine

• ChemBase ID: 234992
• Molecular Formular: C10H17N3O
• Molecular Mass: 195.26148
• Monoisotopic Mass: 195.13716218
• SMILES: n1c(cc(CN(CCOC)C)cc1)N
• Canonical SMILES: COCCN(Cc1ccnc(c1)N)C
• InChI: InChI=1S/C10H17N3O/c1-13(5-6-14-2)8-9-3-4-12-10(11)7-9/h3-4,7H,5-6,8H2,1-2H3,(H2,11,12)
• InChIKey: CCROGNJNLALLND-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{[(2-methoxyethyl)(methyl)amino]methyl}pyridin-2-amine
• IUPAC Traditional name: 4-{[(2-methoxyethyl)(methyl)amino]methyl}pyridin-2-amine
• Synonyms: 4-{[(2-methoxyethyl)(methyl)amino]methyl}pyridin-2-amine

Database IDs

• MDL Number: MFCD16765438
• PubChem SID: 164290902
• PubChem CID: 62465926

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.337656
• LogD (pH = 7.4): -0.4742018
• Log P: 0.4155262
• Molar Refractivity: 58.5012 cm^3
• Polarizability: 21.990091 Å^3
• Polar Surface Area: 51.38 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.398

Product Information

• Purity: 95%