Home > Compound List > Compound details
355815-73-5 molecular structure
click picture or here to close

N-[(3-bromo-4-methoxyphenyl)methyl]cyclopentanamine

ChemBase ID: 311067
Molecular Formular: C13H18BrNO
Molecular Mass: 284.19212
Monoisotopic Mass: 283.0571762
SMILES and InChIs

SMILES:
c1(c(ccc(c1)CNC1CCCC1)OC)Br
Canonical SMILES:
COc1ccc(cc1Br)CNC1CCCC1
InChI:
InChI=1S/C13H18BrNO/c1-16-13-7-6-10(8-12(13)14)9-15-11-4-2-3-5-11/h6-8,11,15H,2-5,9H2,1H3
InChIKey:
YKMDVJNTWQQGOH-UHFFFAOYSA-N

Cite this record

CBID:311067 http://www.chembase.cn/molecule-311067.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-[(3-bromo-4-methoxyphenyl)methyl]cyclopentanamine
IUPAC Traditional name
N-[(3-bromo-4-methoxyphenyl)methyl]cyclopentanamine
Synonyms
(3-bromo-4-methoxybenzyl)cyclopentylamine
CAS Number
355815-73-5
MDL Number
MFCD01134893

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 5571263 external link Add to cart
Data Source Data ID Price
ChemBridge
5571263 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) 0.29050985  LogD (pH = 7.4) 1.1402482 
Log P 3.4973779  Molar Refractivity 69.8052 cm3
Polarizability 27.406351 Å3 Polar Surface Area 21.26 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