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418781-87-0 molecular structure
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[(2,3-dimethoxyphenyl)methyl][(2-methoxyphenyl)methyl]amine

ChemBase ID: 310980
Molecular Formular: C17H21NO3
Molecular Mass: 287.35354
Monoisotopic Mass: 287.15214354
SMILES and InChIs

SMILES:
c1(c(CNCc2c(OC)cccc2)cccc1OC)OC
Canonical SMILES:
COc1ccccc1CNCc1cccc(c1OC)OC
InChI:
InChI=1S/C17H21NO3/c1-19-15-9-5-4-7-13(15)11-18-12-14-8-6-10-16(20-2)17(14)21-3/h4-10,18H,11-12H2,1-3H3
InChIKey:
ITRMJOZSYTVDNL-UHFFFAOYSA-N

Cite this record

CBID:310980 http://www.chembase.cn/molecule-310980.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[(2,3-dimethoxyphenyl)methyl][(2-methoxyphenyl)methyl]amine
IUPAC Traditional name
[(2,3-dimethoxyphenyl)methyl][(2-methoxyphenyl)methyl]amine
Synonyms
(2,3-dimethoxybenzyl)(2-methoxybenzyl)amine
CAS Number
418781-87-0
MDL Number
MFCD02208673

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.470814  LogD (pH = 7.4) 2.191203 
Log P 2.7830539  Molar Refractivity 83.3082 cm3
Polarizability 32.68372 Å3 Polar Surface Area 39.72 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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