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207740-26-9 molecular structure
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2-[2,5-dimethoxy-4-(propylsulfanyl)phenyl]ethan-1-amine

ChemBase ID: 125328
Molecular Formular: C13H21NO2S
Molecular Mass: 255.37634
Monoisotopic Mass: 255.12929992
SMILES and InChIs

SMILES:
COc1cc(SCCC)c(cc1CCN)OC
Canonical SMILES:
CCCSc1cc(OC)c(cc1OC)CCN
InChI:
InChI=1S/C13H21NO2S/c1-4-7-17-13-9-11(15-2)10(5-6-14)8-12(13)16-3/h8-9H,4-7,14H2,1-3H3
InChIKey:
OLEVEPDJOFPJTF-UHFFFAOYSA-N

Cite this record

CBID:125328 http://www.chembase.cn/molecule-125328.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-[2,5-dimethoxy-4-(propylsulfanyl)phenyl]ethan-1-amine
IUPAC Traditional name
2-[2,5-dimethoxy-4-(propylsulfanyl)phenyl]ethanamine
Synonyms
2,5-Dimethoxy-4-n-propylthiophenethylamine
2C-T-7
2,5-DIMETHOXY-4-PROPYLTHIOPHENETHYLAMINE
CAS Number
207740-26-9
PubChem SID
162219678
PubChem CID
24728635
CHEMBL
126432
Chemspider ID
21106233
Wikipedia Title
2C-T-7

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
A&J Pharmtech
AJA-O33155 external link Add to cart Please log in.

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.52762437  LogD (pH = 7.4) 0.25812477 
Log P 2.4761024  Molar Refractivity 74.2935 cm3
Polarizability 29.068735 Å3 Polar Surface Area 44.48 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Melting Point
206-207 °C expand Show data source
Purity
98% expand Show data source

DETAILS

DETAILS

Wikipedia Wikipedia

REFERENCES

REFERENCES

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PATENTS

PATENTS

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