({4-[(ethylamino)methyl]phenyl}methyl)dimethylamine

• ChemBase ID: 269112
• Molecular Formular: C12H20N2
• Molecular Mass: 192.3006
• Monoisotopic Mass: 192.16264865
• SMILES: N(Cc1ccc(cc1)CNCC)(C)C
• Canonical SMILES: CCNCc1ccc(cc1)CN(C)C
• InChI: InChI=1S/C12H20N2/c1-4-13-9-11-5-7-12(8-6-11)10-14(2)3/h5-8,13H,4,9-10H2,1-3H3
• InChIKey: YRIUBFPRWAORJI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ({4-[(ethylamino)methyl]phenyl}methyl)dimethylamine
• IUPAC Traditional name: ({4-[(ethylamino)methyl]phenyl}methyl)dimethylamine
• Synonyms: ({4-[(ethylamino)methyl]phenyl}methyl)dimethylamine

Database IDs

• MDL Number: MFCD09693969
• PubChem SID: 164325022
• PubChem CID: 16495027

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -4.4998155
• LogD (pH = 7.4): -1.9425995
• Log P: 1.8297994
• Molar Refractivity: 62.5973 cm^3
• Polarizability: 24.49271 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.873

Product Information

• Purity: 95%