Home > Compound List > Compound details
5424-66-8 molecular structure
click picture or here to close

2-(4-phenylphenyl)pyrrolidine

ChemBase ID: 73602
Molecular Formular: C16H17N
Molecular Mass: 223.31288
Monoisotopic Mass: 223.13609955
SMILES and InChIs

SMILES:
N1C(c2ccc(cc2)c2ccccc2)CCC1
Canonical SMILES:
C1CNC(C1)c1ccc(cc1)c1ccccc1
InChI:
InChI=1S/C16H17N/c1-2-5-13(6-3-1)14-8-10-15(11-9-14)16-7-4-12-17-16/h1-3,5-6,8-11,16-17H,4,7,12H2
InChIKey:
VFTXXPDSXZVEAD-UHFFFAOYSA-N

Cite this record

CBID:73602 http://www.chembase.cn/molecule-73602.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(4-phenylphenyl)pyrrolidine
IUPAC Traditional name
2-(4-phenylphenyl)pyrrolidine
Synonyms
2-(Biphenyl-4-yl)pyrrolidine
CAS Number
5424-66-8
MDL Number
MFCD02663454
PubChem SID
162038521
PubChem CID
224030

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Apollo Scientific
OR01723 external link Add to cart Please log in.
Data Source Data ID
PubChem 224030 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.40809873  LogD (pH = 7.4) 0.71525675 
Log P 3.6443846  Molar Refractivity 71.6534 cm3
Polarizability 29.641994 Å3 Polar Surface Area 12.03 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
Corrosive 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