Home > Compound List > Compound details
1017387-07-3 molecular structure
click picture or here to close

1-(4-methoxyphenyl)cyclobutan-1-amine

ChemBase ID: 804248
Molecular Formular: C11H15NO
Molecular Mass: 177.2429
Monoisotopic Mass: 177.11536411
SMILES and InChIs

SMILES:
C1(CCC1)(N)c1ccc(cc1)OC
Canonical SMILES:
COc1ccc(cc1)C1(N)CCC1
InChI:
InChI=1S/C11H15NO/c1-13-10-5-3-9(4-6-10)11(12)7-2-8-11/h3-6H,2,7-8,12H2,1H3
InChIKey:
LHPLFXKYTQGLLU-UHFFFAOYSA-N

Cite this record

CBID:804248 http://www.chembase.cn/molecule-804248.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(4-methoxyphenyl)cyclobutan-1-amine
IUPAC Traditional name
1-(4-methoxyphenyl)cyclobutan-1-amine
Synonyms
1-(4-METHOXYPHENYL)CYCLOBUTANAMINE
CAS Number
1017387-07-3

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O21134 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O21134 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) -1.2356446  LogD (pH = 7.4) -0.54560685 
Log P 1.775245  Molar Refractivity 52.6964 cm3
Polarizability 21.019613 Å3 Polar Surface Area 35.25 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% expand Show data source

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