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356093-86-2 molecular structure
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N-[(2,4-dimethoxyphenyl)methyl]cyclohexanamine

ChemBase ID: 311045
Molecular Formular: C15H23NO2
Molecular Mass: 249.34862
Monoisotopic Mass: 249.17287898
SMILES and InChIs

SMILES:
c1(c(cc(cc1)OC)OC)CNC1CCCCC1
Canonical SMILES:
COc1cc(OC)ccc1CNC1CCCCC1
InChI:
InChI=1S/C15H23NO2/c1-17-14-9-8-12(15(10-14)18-2)11-16-13-6-4-3-5-7-13/h8-10,13,16H,3-7,11H2,1-2H3
InChIKey:
LORGUVNNLNEAGO-UHFFFAOYSA-N

Cite this record

CBID:311045 http://www.chembase.cn/molecule-311045.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-[(2,4-dimethoxyphenyl)methyl]cyclohexanamine
IUPAC Traditional name
N-[(2,4-dimethoxyphenyl)methyl]cyclohexanamine
Synonyms
N-(2,4-dimethoxybenzyl)cyclohexanamine
CAS Number
356093-86-2
MDL Number
MFCD01469444

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) -0.14647907  LogD (pH = 7.4) 1.0020543 
Log P 3.0155227  Molar Refractivity 73.2466 cm3
Polarizability 29.054138 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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