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N-[(2,5-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
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ChemBase ID:
311025
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Molecular Formular:
C19H23NO2
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Molecular Mass:
297.39142
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Monoisotopic Mass:
297.17287898
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SMILES and InChIs
SMILES:
c1(c(ccc(c1)OC)OC)CNC1c2c(CCC1)cccc2
Canonical SMILES:
COc1ccc(c(c1)CNC1CCCc2c1cccc2)OC
InChI:
InChI=1S/C19H23NO2/c1-21-16-10-11-19(22-2)15(12-16)13-20-18-9-5-7-14-6-3-4-8-17(14)18/h3-4,6,8,10-12,18,20H,5,7,9,13H2,1-2H3
InChIKey:
XCBDQSXGQDEWGH-UHFFFAOYSA-N
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Cite this record
CBID:311025 http://www.chembase.cn/molecule-311025.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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N-[(2,5-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
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IUPAC Traditional name
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N-[(2,5-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
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Synonyms
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(2,5-dimethoxybenzyl)1,2,3,4-tetrahydronaphthalen-1-ylamine
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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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1.0486795
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LogD (pH = 7.4)
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2.6803026
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Log P
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3.9295182
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Molar Refractivity
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89.0268 cm3
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Polarizability
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34.900745 Å3
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Polar Surface Area
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30.49 Å2
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PROPERTIES
PROPERTIES
Bioassay(PubChem)
PATENTS
PATENTS
PubChem Patent
Google Patent