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499997-32-9 molecular structure
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N-[(3-ethoxy-4-methoxyphenyl)methyl]cyclopentanamine

ChemBase ID: 311081
Molecular Formular: C15H23NO2
Molecular Mass: 249.34862
Monoisotopic Mass: 249.17287898
SMILES and InChIs

SMILES:
c1(c(ccc(c1)CNC1CCCC1)OC)OCC
Canonical SMILES:
CCOc1cc(CNC2CCCC2)ccc1OC
InChI:
InChI=1S/C15H23NO2/c1-3-18-15-10-12(8-9-14(15)17-2)11-16-13-6-4-5-7-13/h8-10,13,16H,3-7,11H2,1-2H3
InChIKey:
YKPDYSCZQTXOCS-UHFFFAOYSA-N

Cite this record

CBID:311081 http://www.chembase.cn/molecule-311081.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-[(3-ethoxy-4-methoxyphenyl)methyl]cyclopentanamine
IUPAC Traditional name
N-[(3-ethoxy-4-methoxyphenyl)methyl]cyclopentanamine
Synonyms
N-(3-ethoxy-4-methoxybenzyl)cyclopentanamine
CAS Number
499997-32-9
MDL Number
MFCD01469598

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) -0.2779196  LogD (pH = 7.4) 0.5836711 
Log P 2.927762  Molar Refractivity 73.3942 cm3
Polarizability 29.05531 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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