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408336-54-9 molecular structure
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[2-(4-methoxyphenyl)ethyl][(4-methoxyphenyl)methyl]amine

ChemBase ID: 310901
Molecular Formular: C17H21NO2
Molecular Mass: 271.35414
Monoisotopic Mass: 271.15722892
SMILES and InChIs

SMILES:
c1(ccc(cc1)CNCCc1ccc(cc1)OC)OC
Canonical SMILES:
COc1ccc(cc1)CNCCc1ccc(cc1)OC
InChI:
InChI=1S/C17H21NO2/c1-19-16-7-3-14(4-8-16)11-12-18-13-15-5-9-17(20-2)10-6-15/h3-10,18H,11-13H2,1-2H3
InChIKey:
AGLYDIBEDXKLLC-UHFFFAOYSA-N

Cite this record

CBID:310901 http://www.chembase.cn/molecule-310901.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[2-(4-methoxyphenyl)ethyl][(4-methoxyphenyl)methyl]amine
IUPAC Traditional name
[2-(4-methoxyphenyl)ethyl][(4-methoxyphenyl)methyl]amine
Synonyms
(4-methoxybenzyl)[2-(4-methoxyphenyl)ethyl]amine
CAS Number
408336-54-9
MDL Number
MFCD01135964

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) 0.025594696  LogD (pH = 7.4) 0.90534997 
Log P 3.2293863  Molar Refractivity 81.6 cm3
Polarizability 31.950844 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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