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(1-{[4-(benzyloxy)-2-methoxyphenyl]methyl}pyrrolidin-3-yl)methanamine

ChemBase ID: 341216
Molecular Formular: C20H26N2O2
Molecular Mass: 326.43264
Monoisotopic Mass: 326.19942808
SMILES and InChIs

SMILES:
N1(Cc2c(cc(OCc3ccccc3)cc2)OC)CC(CC1)CN
Canonical SMILES:
NCC1CCN(C1)Cc1ccc(cc1OC)OCc1ccccc1
InChI:
InChI=1S/C20H26N2O2/c1-23-20-11-19(24-15-16-5-3-2-4-6-16)8-7-18(20)14-22-10-9-17(12-21)13-22/h2-8,11,17H,9-10,12-15,21H2,1H3
InChIKey:
KRPVFJKGABBQDI-UHFFFAOYSA-N

Cite this record

CBID:341216 http://www.chembase.cn/molecule-341216.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(1-{[4-(benzyloxy)-2-methoxyphenyl]methyl}pyrrolidin-3-yl)methanamine
IUPAC Traditional name
(1-{[4-(benzyloxy)-2-methoxyphenyl]methyl}pyrrolidin-3-yl)methanamine
Synonyms
({1-[4-(benzyloxy)-2-methoxybenzyl]pyrrolidin-3-yl}methyl)amine

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 供应商提供(Chembridge)
H Acceptors H Donor
LogD (pH = 5.5) -2.5142992  LogD (pH = 7.4) -0.41335723 
Log P 2.5925398  Molar Refractivity 97.6397 cm3
Polarizability 38.348114 Å3 Polar Surface Area 47.72 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 2.57  LOG S -2.77 
Polar Surface Area 47.72 Å2 Rotatable Bonds

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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