{[4-(cyclopentyloxy)phenyl]methyl}[2-(dimethylamino)ethyl]amine

• ChemBase ID: 18880
• Molecular Formular: C16H26N2O
• Molecular Mass: 262.39044
• Monoisotopic Mass: 262.20451346
• SMILES: O(c1ccc(cc1)CNCCN(C)C)C1CCCC1
• Canonical SMILES: CN(CCNCc1ccc(cc1)OC1CCCC1)C
• InChI: InChI=1S/C16H26N2O/c1-18(2)12-11-17-13-14-7-9-16(10-8-14)19-15-5-3-4-6-15/h7-10,15,17H,3-6,11-13H2,1-2H3
• InChIKey: DEDZAVJWWNCUOV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {[4-(cyclopentyloxy)phenyl]methyl}[2-(dimethylamino)ethyl]amine
• IUPAC Traditional name: {[4-(cyclopentyloxy)phenyl]methyl}[2-(dimethylamino)ethyl]amine
• Synonyms: N'-(4-Cyclopentyloxy-benzyl)-N,N-dimethyl-ethane-1,2-diamine

Database IDs

• MDL Number: MFCD06196572
• PubChem SID: 160982187
• PubChem CID: 2217277

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.4815533
• LogD (pH = 7.4): 0.74762106
• Log P: 2.7472699
• Molar Refractivity: 80.2015 cm^3
• Polarizability: 31.771534 Å^3
• Polar Surface Area: 24.5 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false