Home > Compound List > Compound details
13078-91-6 molecular structure
click picture or here to close

2-(2,3-dihydro-1H-indol-3-yl)ethan-1-amine

ChemBase ID: 289824
Molecular Formular: C10H14N2
Molecular Mass: 162.23156
Monoisotopic Mass: 162.11569846
SMILES and InChIs

SMILES:
NCCC1CNc2c1cccc2
Canonical SMILES:
NCCC1CNc2c1cccc2
InChI:
InChI=1S/C10H14N2/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,8,12H,5-7,11H2
InChIKey:
ZIMNJHFFARFXNK-UHFFFAOYSA-N

Cite this record

CBID:289824 http://www.chembase.cn/molecule-289824.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(2,3-dihydro-1H-indol-3-yl)ethan-1-amine
IUPAC Traditional name
2-(2,3-dihydro-1H-indol-3-yl)ethanamine
Synonyms
2-(Indolin-3-yl)ethanamine
CAS Number
13078-91-6
PubChem SID
180675355
PubChem CID
12655251

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD226239 Please log in.
Data Source Data ID
PubChem 12655251 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.3072982  LogD (pH = 7.4) -1.739266 
Log P 0.7518935  Molar Refractivity 52.2202 cm3
Polarizability 19.576357 Å3 Polar Surface Area 38.05 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
95+% 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