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418785-77-0 molecular structure
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[(3,4-dimethoxyphenyl)methyl][(4-methylphenyl)methyl]amine

ChemBase ID: 311026
Molecular Formular: C17H21NO2
Molecular Mass: 271.35414
Monoisotopic Mass: 271.15722892
SMILES and InChIs

SMILES:
c1(c(ccc(c1)CNCc1ccc(cc1)C)OC)OC
Canonical SMILES:
COc1cc(CNCc2ccc(cc2)C)ccc1OC
InChI:
InChI=1S/C17H21NO2/c1-13-4-6-14(7-5-13)11-18-12-15-8-9-16(19-2)17(10-15)20-3/h4-10,18H,11-12H2,1-3H3
InChIKey:
ODTQDKLLCBJJHE-UHFFFAOYSA-N

Cite this record

CBID:311026 http://www.chembase.cn/molecule-311026.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[(3,4-dimethoxyphenyl)methyl][(4-methylphenyl)methyl]amine
IUPAC Traditional name
[(3,4-dimethoxyphenyl)methyl][(4-methylphenyl)methyl]amine
Synonyms
(3,4-dimethoxybenzyl)(4-methylbenzyl)amine
CAS Number
418785-77-0
MDL Number
MFCD02106105

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) 0.43006897  LogD (pH = 7.4) 1.9222147 
Log P 3.4541466  Molar Refractivity 81.8862 cm3
Polarizability 31.950134 Å3 Polar Surface Area 30.49 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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