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418792-50-4 molecular structure
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[(3,4-dimethoxyphenyl)methyl][(2-methoxyphenyl)methyl]amine

ChemBase ID: 311094
Molecular Formular: C17H21NO3
Molecular Mass: 287.35354
Monoisotopic Mass: 287.15214354
SMILES and InChIs

SMILES:
c1(c(ccc(c1)CNCc1c(OC)cccc1)OC)OC
Canonical SMILES:
COc1cc(CNCc2ccccc2OC)ccc1OC
InChI:
InChI=1S/C17H21NO3/c1-19-15-7-5-4-6-14(15)12-18-11-13-8-9-16(20-2)17(10-13)21-3/h4-10,18H,11-12H2,1-3H3
InChIKey:
FECSVWAYVHURCC-UHFFFAOYSA-N

Cite this record

CBID:311094 http://www.chembase.cn/molecule-311094.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[(3,4-dimethoxyphenyl)methyl][(2-methoxyphenyl)methyl]amine
IUPAC Traditional name
[(3,4-dimethoxyphenyl)methyl][(2-methoxyphenyl)methyl]amine
Synonyms
(3,4-dimethoxybenzyl)(2-methoxybenzyl)amine
CAS Number
418792-50-4
MDL Number
MFCD02106138

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) 0.1067464  LogD (pH = 7.4) 1.8218857 
Log P 2.7830539  Molar Refractivity 83.3082 cm3
Polarizability 32.68348 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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