(4-methyl-2-propoxyphenyl)methanamine

• ChemBase ID: 237147
• Molecular Formular: C11H17NO
• Molecular Mass: 179.25878
• Monoisotopic Mass: 179.13101417
• SMILES: c1(c(ccc(c1)C)CN)OCCC
• Canonical SMILES: CCCOc1cc(C)ccc1CN
• InChI: InChI=1S/C11H17NO/c1-3-6-13-11-7-9(2)4-5-10(11)8-12/h4-5,7H,3,6,8,12H2,1-2H3
• InChIKey: FOXKWMVTXWCZIZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-methyl-2-propoxyphenyl)methanamine
• IUPAC Traditional name: (4-methyl-2-propoxyphenyl)methanamine
• Synonyms: (4-methyl-2-propoxyphenyl)methanamine

Database IDs

• MDL Number: MFCD16704911
• PubChem SID: 164293057
• PubChem CID: 62308170

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.5716064
• LogD (pH = 7.4): 0.73917174
• Log P: 2.3340948
• Molar Refractivity: 55.3084 cm^3
• Polarizability: 21.679312 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.57

Product Information

• Purity: 95%