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4-(cyclopropylmethyl)-2-[(4-methoxyphenyl)methyl]morpholine

ChemBase ID: 321646
Molecular Formular: C16H23NO2
Molecular Mass: 261.35932
Monoisotopic Mass: 261.17287898
SMILES and InChIs

SMILES:
N1(CC2CC2)CC(OCC1)Cc1ccc(cc1)OC
Canonical SMILES:
COc1ccc(cc1)CC1OCCN(C1)CC1CC1
InChI:
InChI=1S/C16H23NO2/c1-18-15-6-4-13(5-7-15)10-16-12-17(8-9-19-16)11-14-2-3-14/h4-7,14,16H,2-3,8-12H2,1H3
InChIKey:
OXGXIISTZXNMGQ-UHFFFAOYSA-N

Cite this record

CBID:321646 http://www.chembase.cn/molecule-321646.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-(cyclopropylmethyl)-2-[(4-methoxyphenyl)methyl]morpholine
IUPAC Traditional name
4-(cyclopropylmethyl)-2-[(4-methoxyphenyl)methyl]morpholine
Synonyms
4-(cyclopropylmethyl)-2-(4-methoxybenzyl)morpholine

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 11178100 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) 0.272749  LogD (pH = 7.4) 2.0269032 
Log P 2.6674764  Molar Refractivity 76.5056 cm3
Polarizability 30.104813 Å3 Polar Surface Area 21.7 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 3.03  LOG S -2.12 
Polar Surface Area 21.7 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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