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1-[benzyl(methyl)amino]-3-[4-({methyl[(5-methylfuran-2-yl)methyl]amino}methyl)phenoxy]propan-2-ol

ChemBase ID: 370534
Molecular Formular: C25H32N2O3
Molecular Mass: 408.53318
Monoisotopic Mass: 408.24129289
SMILES and InChIs

SMILES:
c1(oc(cc1)C)CN(Cc1ccc(OCC(CN(Cc2ccccc2)C)O)cc1)C
Canonical SMILES:
OC(CN(Cc1ccccc1)C)COc1ccc(cc1)CN(Cc1ccc(o1)C)C
InChI:
InChI=1S/C25H32N2O3/c1-20-9-12-25(30-20)18-27(3)16-22-10-13-24(14-11-22)29-19-23(28)17-26(2)15-21-7-5-4-6-8-21/h4-14,23,28H,15-19H2,1-3H3
InChIKey:
MRVWJWWZOXIDKV-UHFFFAOYSA-N

Cite this record

CBID:370534 http://www.chembase.cn/molecule-370534.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-[benzyl(methyl)amino]-3-[4-({methyl[(5-methylfuran-2-yl)methyl]amino}methyl)phenoxy]propan-2-ol
IUPAC Traditional name
1-[benzyl(methyl)amino]-3-[4-({methyl[(5-methylfuran-2-yl)methyl]amino}methyl)phenoxy]propan-2-ol
Synonyms
1-[benzyl(methyl)amino]-3-[4-({methyl[(5-methyl-2-furyl)methyl]amino}methyl)phenoxy]-2-propanol

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
Acid pKa 14.079033  H Acceptors
H Donor LogD (pH = 5.5) -1.5215333 
LogD (pH = 7.4) 1.9824427  Log P 3.8540351 
Molar Refractivity 121.8113 cm3 Polarizability 47.234898 Å3
Polar Surface Area 49.08 Å2 Rotatable Bonds 11 
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 4.47  LOG S -2.94 
Polar Surface Area 49.08 Å2 Rotatable Bonds 11 

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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