(2-methoxyethyl)({[1-(propan-2-yl)-1H-pyrrol-2-yl]methyl})amine

• ChemBase ID: 124904
• Molecular Formular: C11H20N2O
• Molecular Mass: 196.2893
• Monoisotopic Mass: 196.15756327
• SMILES: n1(c(ccc1)CNCCOC)C(C)C
• Canonical SMILES: COCCNCc1cccn1C(C)C
• InChI: InChI=1S/C11H20N2O/c1-10(2)13-7-4-5-11(13)9-12-6-8-14-3/h4-5,7,10,12H,6,8-9H2,1-3H3
• InChIKey: YEYIVLHPWGUWPD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-methoxyethyl)({[1-(propan-2-yl)-1H-pyrrol-2-yl]methyl})amine
• IUPAC Traditional name: [(1-isopropylpyrrol-2-yl)methyl](2-methoxyethyl)amine
• Synonyms: N-((1-isopropyl-1H-pyrrol-2-yl)methyl)-2-methoxyethanamine

Database IDs

• PubChem SID: 162219257
• PubChem CID: 46784874

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.3779985
• LogD (pH = 7.4): 0.26688135
• Log P: 1.4815634
• Molar Refractivity: 59.0499 cm^3
• Polarizability: 23.064648 Å^3
• Polar Surface Area: 26.19 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true