Home > Compound List > Compound details
435288-40-7 molecular structure
click picture or here to close

{2-[(1-bromonaphthalen-2-yl)oxy]ethyl}(2-methoxyethyl)amine

ChemBase ID: 311867
Molecular Formular: C15H18BrNO2
Molecular Mass: 324.21292
Monoisotopic Mass: 323.05209082
SMILES and InChIs

SMILES:
c1(c2c(ccc1OCCNCCOC)cccc2)Br
Canonical SMILES:
COCCNCCOc1ccc2c(c1Br)cccc2
InChI:
InChI=1S/C15H18BrNO2/c1-18-10-8-17-9-11-19-14-7-6-12-4-2-3-5-13(12)15(14)16/h2-7,17H,8-11H2,1H3
InChIKey:
PEBBULGYBRHBPE-UHFFFAOYSA-N

Cite this record

CBID:311867 http://www.chembase.cn/molecule-311867.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
{2-[(1-bromonaphthalen-2-yl)oxy]ethyl}(2-methoxyethyl)amine
IUPAC Traditional name
{2-[(1-bromonaphthalen-2-yl)oxy]ethyl}(2-methoxyethyl)amine
Synonyms
2-[(1-bromo-2-naphthyl)oxy]-N-(2-methoxyethyl)ethanamine
CAS Number
435288-40-7
MDL Number
MFCD03710385

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 7017901 external link Add to cart
Data Source Data ID Price
ChemBridge
7017901 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.16016363  LogD (pH = 7.4) 1.6812254 
Log P 3.162425  Molar Refractivity 80.3621 cm3
Polarizability 32.606747 Å3 Polar Surface Area 30.49 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle