N-(2-aminoethyl)-3,5-dimethoxyaniline

• ChemBase ID: 235107
• Molecular Formular: C10H16N2O2
• Molecular Mass: 196.24624
• Monoisotopic Mass: 196.12117776
• SMILES: c1(cc(cc(c1)OC)OC)NCCN
• Canonical SMILES: NCCNc1cc(OC)cc(c1)OC
• InChI: InChI=1S/C10H16N2O2/c1-13-9-5-8(12-4-3-11)6-10(7-9)14-2/h5-7,12H,3-4,11H2,1-2H3
• InChIKey: RYLDKTVRIBLNPM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-aminoethyl)-3,5-dimethoxyaniline
• IUPAC Traditional name: N-(2-aminoethyl)-3,5-dimethoxyaniline
• Synonyms: N-(2-aminoethyl)-3,5-dimethoxyaniline

Database IDs

• MDL Number: MFCD21097236
• PubChem SID: 164291017
• PubChem CID: 66568530

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -2.6651137
• LogD (pH = 7.4): -1.8237071
• Log P: 0.33369762
• Molar Refractivity: 57.128 cm^3
• Polarizability: 21.711823 Å^3
• Polar Surface Area: 56.51 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.088

Product Information

• Purity: 95%