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356093-54-4 molecular structure
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[(3,5-dimethoxyphenyl)methyl][(4-methoxyphenyl)methyl]amine

ChemBase ID: 311050
Molecular Formular: C17H21NO3
Molecular Mass: 287.35354
Monoisotopic Mass: 287.15214354
SMILES and InChIs

SMILES:
c1c(cc(cc1OC)CNCc1ccc(cc1)OC)OC
Canonical SMILES:
COc1ccc(cc1)CNCc1cc(OC)cc(c1)OC
InChI:
InChI=1S/C17H21NO3/c1-19-15-6-4-13(5-7-15)11-18-12-14-8-16(20-2)10-17(9-14)21-3/h4-10,18H,11-12H2,1-3H3
InChIKey:
PUUIMGFMLAOYFH-UHFFFAOYSA-N

Cite this record

CBID:311050 http://www.chembase.cn/molecule-311050.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[(3,5-dimethoxyphenyl)methyl][(4-methoxyphenyl)methyl]amine
IUPAC Traditional name
[(3,5-dimethoxyphenyl)methyl][(4-methoxyphenyl)methyl]amine
Synonyms
(3,5-dimethoxybenzyl)(4-methoxybenzyl)amine
CAS Number
356093-54-4
MDL Number
MFCD01654200

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) -0.14743485  LogD (pH = 7.4) 1.447205 
Log P 2.7830539  Molar Refractivity 83.3082 cm3
Polarizability 32.68173 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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