Home > Compound List > Compound details
63779-90-8 molecular structure
click picture or here to close

1-(2,5-dimethoxy-4-pentylphenyl)propan-2-amine

ChemBase ID: 125225
Molecular Formular: C16H27NO2
Molecular Mass: 265.39108
Monoisotopic Mass: 265.20417911
SMILES and InChIs

SMILES:
COc1cc(CCCCC)c(cc1CC(C)N)OC
Canonical SMILES:
CCCCCc1cc(OC)c(cc1OC)CC(N)C
InChI:
InChI=1S/C16H27NO2/c1-5-6-7-8-13-10-16(19-4)14(9-12(2)17)11-15(13)18-3/h10-12H,5-9,17H2,1-4H3
InChIKey:
VLJORLCVOAUUKM-UHFFFAOYSA-N

Cite this record

CBID:125225 http://www.chembase.cn/molecule-125225.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(2,5-dimethoxy-4-pentylphenyl)propan-2-amine
IUPAC Traditional name
1-(2,5-dimethoxy-4-pentylphenyl)propan-2-amine
Synonyms
2,5-Dimethoxy-4-amyl-amphetamine2,5-Dimethoxy-4-amyl-1-ethyl-(alpha-methyl)amine
2,5-Dimethoxy-4-amylamphetamine
CAS Number
63779-90-8
PubChem SID
162219575
PubChem CID
12262512
CHEMBL
161416
Chemspider ID
10440619
Wikipedia Title
2,5-Dimethoxy-4-amylamphetamine

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.7643787  LogD (pH = 7.4) 1.3646294 
Log P 3.780604  Molar Refractivity 80.0768 cm3
Polarizability 31.47868 Å3 Polar Surface Area 44.48 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Bioassay(PubChem)

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