Home > Compound List > Compound details
38089-03-1 molecular structure
click picture or here to close

2-(4-methoxyphenyl)aniline

ChemBase ID: 19396
Molecular Formular: C13H13NO
Molecular Mass: 199.24842
Monoisotopic Mass: 199.09971404
SMILES and InChIs

SMILES:
c1(c2ccc(cc2)OC)c(N)cccc1
Canonical SMILES:
COc1ccc(cc1)c1ccccc1N
InChI:
InChI=1S/C13H13NO/c1-15-11-8-6-10(7-9-11)12-4-2-3-5-13(12)14/h2-9H,14H2,1H3
InChIKey:
AUUXOXVQBXLAKY-UHFFFAOYSA-N

Cite this record

CBID:19396 http://www.chembase.cn/molecule-19396.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(4-methoxyphenyl)aniline
IUPAC Traditional name
2-(4-methoxyphenyl)aniline
Synonyms
(4'-methoxybiphenyl-2-yl)amine
4'-Methoxy[1,1'-biphenyl]-2-amine
4'-METHOXY-BIPHENYL-2-YLAMINE
CAS Number
38089-03-1
MDL Number
MFCD03424652
PubChem SID
160982703
PubChem CID
2759562

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 2759562 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.620363  LogD (pH = 7.4) 2.633701 
Log P 2.633874  Molar Refractivity 62.3578 cm3
Polarizability 25.024967 Å3 Polar Surface Area 35.25 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
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