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(1-benzofuran-2-ylmethyl)(methyl)(oxan-2-ylmethyl)amine

ChemBase ID: 340521
Molecular Formular: C16H21NO2
Molecular Mass: 259.34344
Monoisotopic Mass: 259.15722892
SMILES and InChIs

SMILES:
c1(oc2c(c1)cccc2)CN(CC1OCCCC1)C
Canonical SMILES:
CN(Cc1cc2c(o1)cccc2)CC1CCCCO1
InChI:
InChI=1S/C16H21NO2/c1-17(11-14-7-4-5-9-18-14)12-15-10-13-6-2-3-8-16(13)19-15/h2-3,6,8,10,14H,4-5,7,9,11-12H2,1H3
InChIKey:
XQMJHFSANGEEAP-UHFFFAOYSA-N

Cite this record

CBID:340521 http://www.chembase.cn/molecule-340521.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(1-benzofuran-2-ylmethyl)(methyl)(oxan-2-ylmethyl)amine
IUPAC Traditional name
(1-benzofuran-2-ylmethyl)(methyl)(oxan-2-ylmethyl)amine
Synonyms
(1-benzofuran-2-ylmethyl)methyl(tetrahydro-2H-pyran-2-ylmethyl)amine

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 13887584 external link Add to cart
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) -0.060270127  LogD (pH = 7.4) 1.6812588 
Log P 2.8569248  Molar Refractivity 76.175 cm3
Polarizability 30.955143 Å3 Polar Surface Area 25.61 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 3.06  LOG S -2.7 
Polar Surface Area 25.61 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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