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6027-00-5 molecular structure
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{2-[(4-methoxyphenyl)(phenyl)methoxy]ethyl}dimethylamine hydrochloride

ChemBase ID: 172516
Molecular Formular: C18H24ClNO2
Molecular Mass: 321.84166
Monoisotopic Mass: 321.14955669
SMILES and InChIs

SMILES:
c1c(ccc(c1)C(OCCN(C)C)c1ccccc1)OC.Cl
Canonical SMILES:
COc1ccc(cc1)C(c1ccccc1)OCCN(C)C.Cl
InChI:
InChI=1S/C18H23NO2.ClH/c1-19(2)13-14-21-18(15-7-5-4-6-8-15)16-9-11-17(20-3)12-10-16;/h4-12,18H,13-14H2,1-3H3;1H
InChIKey:
ZLOMYDCFJHNHGM-UHFFFAOYSA-N

Cite this record

CBID:172516 http://www.chembase.cn/molecule-172516.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
{2-[(4-methoxyphenyl)(phenyl)methoxy]ethyl}dimethylamine hydrochloride
IUPAC Traditional name
{2-[(4-methoxyphenyl)(phenyl)methoxy]ethyl}dimethylamine hydrochloride
Synonyms
2-[(4-Methoxyphenyl)phenylmethoxy]-N,N-dimethylethanamine Hydrochloride
2-(p-Methoxy-.alpha.-phenylbenzyloxy)-N,N-dimethylethylamine Hydrochloride
Histaphen Hydrochloride
Histaphene-Hydrochloride
Postafen Hydrochloride
Salve Hydrochloride
Medrylamine Hydrochloride
CAS Number
6027-00-5
PubChem SID
164228426
PubChem CID
71749889

DATA SOURCES

DATA SOURCES

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Data Source Data ID
TRC M203400 external link Add to cart
PubChem 71749889 external link
Data Source Data ID Price
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Data Source Data ID
PubChem 71749889 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.36601052  LogD (pH = 7.4) 2.0165758 
Log P 3.494236  Molar Refractivity 86.3902 cm3
Polarizability 33.88525 Å3 Polar Surface Area 21.7 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
MSDS Link
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Certificate of Analysis
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DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - M203400 external link
An antibacterial agent.

REFERENCES

REFERENCES

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  • • Cetinkaya, Y., et al.: Clin. Microb. Rev., 13, 686 (2000)
  • • Galimand, M., et al.: Antimicrob. Agents Chemother., 47, 2565 (2000)
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PATENTS

PATENTS

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INTERNET

INTERNET

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