(3-methoxy-2,2-dimethylpropyl)(methyl)amine hydrochloride

• ChemBase ID: 244506
• Molecular Formular: C7H18ClNO
• Molecular Mass: 167.67692
• Monoisotopic Mass: 167.10769188
• SMILES: C(CNC)(COC)(C)C.Cl
• Canonical SMILES: CNCC(COC)(C)C.Cl
• InChI: InChI=1S/C7H17NO.ClH/c1-7(2,5-8-3)6-9-4;/h8H,5-6H2,1-4H3;1H
• InChIKey: BGPZUOAOWRKZQF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3-methoxy-2,2-dimethylpropyl)(methyl)amine hydrochloride
• IUPAC Traditional name: (3-methoxy-2,2-dimethylpropyl)(methyl)amine hydrochloride
• Synonyms: (3-methoxy-2,2-dimethylpropyl)(methyl)amine hydrochloride

Database IDs

• MDL Number: MFCD22628539
• PubChem SID: 164300416
• PubChem CID: 71757519

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.4394257
• LogD (pH = 7.4): -1.9730304
• Log P: 0.7917809
• Molar Refractivity: 39.3616 cm^3
• Polarizability: 15.844791 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.861

Product Information

• Purity: 95%