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[3-(propan-2-yloxy)propyl][(1-propyl-1,2,3,4-tetrahydroquinolin-6-yl)methyl]amine
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ChemBase ID:
35661
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Molecular Formular:
C19H32N2O
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Molecular Mass:
304.47018
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Monoisotopic Mass:
304.25146365
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SMILES and InChIs
SMILES:
c12N(CCCc1cc(cc2)CNCCCOC(C)C)CCC
Canonical SMILES:
CCCN1CCCc2c1ccc(c2)CNCCCOC(C)C
InChI:
InChI=1S/C19H32N2O/c1-4-11-21-12-5-7-18-14-17(8-9-19(18)21)15-20-10-6-13-22-16(2)3/h8-9,14,16,20H,4-7,10-13,15H2,1-3H3
InChIKey:
ANKWKSWOGVLIOR-UHFFFAOYSA-N
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Cite this record
CBID:35661 http://www.chembase.cn/molecule-35661.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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[3-(propan-2-yloxy)propyl][(1-propyl-1,2,3,4-tetrahydroquinolin-6-yl)methyl]amine
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IUPAC Traditional name
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(3-isopropoxypropyl)[(1-propyl-3,4-dihydro-2H-quinolin-6-yl)methyl]amine
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Synonyms
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(3-Isopropoxypropyl)[(1-propyl-1,2,3,4-tetrahydroquinolin-6-yl)methyl]amine
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MDL Number
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PubChem SID
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PubChem CID
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DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
H Acceptors
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3
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H Donor
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1
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LogD (pH = 5.5)
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0.43252572
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LogD (pH = 7.4)
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1.4066454
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Log P
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3.7897933
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Molar Refractivity
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95.9941 cm3
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Polarizability
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36.84602 Å3
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Polar Surface Area
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24.5 Å2
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Rotatable Bonds
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9
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Lipinski's Rule of Five
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true
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PROPERTIES
PROPERTIES
Safety Information
Bioassay(PubChem)
Storage Warning
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IRRITANT
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Show
data source
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MSDS Link
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TSCA Listed
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false
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Show
data source
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PATENTS
PATENTS
PubChem Patent
Google Patent