3-methyl-4-(propan-2-yloxy)aniline

• ChemBase ID: 279175
• Molecular Formular: C10H15NO
• Molecular Mass: 165.2322
• Monoisotopic Mass: 165.11536411
• SMILES: c1(c(cc(N)cc1)C)OC(C)C
• Canonical SMILES: CC(Oc1ccc(cc1C)N)C
• InChI: InChI=1S/C10H15NO/c1-7(2)12-10-5-4-9(11)6-8(10)3/h4-7H,11H2,1-3H3
• InChIKey: DZKUUMSZPWXHSN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methyl-4-(propan-2-yloxy)aniline
• IUPAC Traditional name: 4-isopropoxy-3-methylaniline
• Synonyms: 3-methyl-4-(propan-2-yloxy)aniline

Database IDs

• MDL Number: MFCD11214161
• PubChem SID: 164335085
• PubChem CID: 43165648

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.02527
• LogD (pH = 7.4): 2.2692404
• Log P: 2.273453
• Molar Refractivity: 51.4302 cm^3
• Polarizability: 19.440617 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.341

Product Information

• Purity: 95%