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418789-66-9 molecular structure
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[2-(3,4-dimethoxyphenyl)ethyl][(4-methylphenyl)methyl]amine

ChemBase ID: 311062
Molecular Formular: C18H23NO2
Molecular Mass: 285.38072
Monoisotopic Mass: 285.17287898
SMILES and InChIs

SMILES:
c1(c(ccc(c1)CCNCc1ccc(cc1)C)OC)OC
Canonical SMILES:
COc1cc(CCNCc2ccc(cc2)C)ccc1OC
InChI:
InChI=1S/C18H23NO2/c1-14-4-6-16(7-5-14)13-19-11-10-15-8-9-17(20-2)18(12-15)21-3/h4-9,12,19H,10-11,13H2,1-3H3
InChIKey:
ORRLQZXGGQWUGA-UHFFFAOYSA-N

Cite this record

CBID:311062 http://www.chembase.cn/molecule-311062.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[2-(3,4-dimethoxyphenyl)ethyl][(4-methylphenyl)methyl]amine
IUPAC Traditional name
[2-(3,4-dimethoxyphenyl)ethyl][(4-methylphenyl)methyl]amine
Synonyms
2-(3,4-dimethoxyphenyl)-N-(4-methylbenzyl)ethanamine
CAS Number
418789-66-9
MDL Number
MFCD02208703

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) 0.5317354  LogD (pH = 7.4) 1.3363358 
Log P 3.7428079  Molar Refractivity 86.6412 cm3
Polarizability 33.719147 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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