[2-amino-1-(4-ethylphenyl)ethyl]dimethylamine

• ChemBase ID: 237791
• Molecular Formular: C12H20N2
• Molecular Mass: 192.3006
• Monoisotopic Mass: 192.16264865
• SMILES: C(c1ccc(cc1)CC)(N(C)C)CN
• Canonical SMILES: NCC(c1ccc(cc1)CC)N(C)C
• InChI: InChI=1S/C12H20N2/c1-4-10-5-7-11(8-6-10)12(9-13)14(2)3/h5-8,12H,4,9,13H2,1-3H3
• InChIKey: YDUYAUXCQVPGKS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-amino-1-(4-ethylphenyl)ethyl]dimethylamine
• IUPAC Traditional name: [2-amino-1-(4-ethylphenyl)ethyl]dimethylamine
• Synonyms: N-[2-amino-1-(4-ethylphenyl)ethyl]-N,N-dimethylamine

Database IDs

• MDL Number: MFCD06655100
• PubChem SID: 164293701
• PubChem CID: 3595793

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.0386088
• LogD (pH = 7.4): 0.24023817
• Log P: 2.1354158
• Molar Refractivity: 61.8629 cm^3
• Polarizability: 24.4145 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.341

Product Information

• Purity: 95%