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356093-25-9 molecular structure
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[(2,5-dimethoxyphenyl)methyl](1-methoxypropan-2-yl)amine

ChemBase ID: 310872
Molecular Formular: C13H21NO3
Molecular Mass: 239.31074
Monoisotopic Mass: 239.15214354
SMILES and InChIs

SMILES:
c1(c(ccc(c1)OC)OC)CNC(COC)C
Canonical SMILES:
COCC(NCc1cc(OC)ccc1OC)C
InChI:
InChI=1S/C13H21NO3/c1-10(9-15-2)14-8-11-7-12(16-3)5-6-13(11)17-4/h5-7,10,14H,8-9H2,1-4H3
InChIKey:
RJPWMVXLQUITBW-UHFFFAOYSA-N

Cite this record

CBID:310872 http://www.chembase.cn/molecule-310872.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[(2,5-dimethoxyphenyl)methyl](1-methoxypropan-2-yl)amine
IUPAC Traditional name
[(2,5-dimethoxyphenyl)methyl](1-methoxypropan-2-yl)amine
Synonyms
(2,5-dimethoxybenzyl)(2-methoxy-1-methylethyl)amine
CAS Number
356093-25-9
MDL Number
MFCD01468724

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.1799757  LogD (pH = 7.4) 0.50917494 
Log P 1.5858517  Molar Refractivity 67.6947 cm3
Polarizability 26.783152 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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