Home > Compound List > Compound details
6440-92-2 molecular structure
click picture or here to close

2-(3,4-dimethylphenoxy)propan-1-amine

ChemBase ID: 811429
Molecular Formular: C11H17NO
Molecular Mass: 179.25878
Monoisotopic Mass: 179.13101417
SMILES and InChIs

SMILES:
NCC(C)Oc1cc(c(cc1)C)C
Canonical SMILES:
NCC(Oc1ccc(c(c1)C)C)C
InChI:
InChI=1S/C11H17NO/c1-8-4-5-11(6-9(8)2)13-10(3)7-12/h4-6,10H,7,12H2,1-3H3
InChIKey:
UHWNETBQPWKEAG-UHFFFAOYSA-N

Cite this record

CBID:811429 http://www.chembase.cn/molecule-811429.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(3,4-dimethylphenoxy)propan-1-amine
IUPAC Traditional name
2-(3,4-dimethylphenoxy)propan-1-amine
Synonyms
2-(3,4-DIMETHYL-PHENOXY)-PROPYLAMINE
CAS Number
6440-92-2

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O30797 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O30797 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) -0.50614333  LogD (pH = 7.4) 0.56460464 
Log P 2.4620085  Molar Refractivity 54.9722 cm3
Polarizability 21.603298 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