2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethanamine

C14H16N2O — CID 16791029

IUPAC2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethanamine
SMILESNCC(c1ccco1)N1CCc2ccccc21
InChIInChI=1S/C14H16N2O/c15-10-13(14-6-3-9-17-14)16-8-7-11-4-1-2-5-12(11)16/h1-6,9,13H,7-8,10,15H2
InChIKeyOCAOAFAXAVCEKJ-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.34
Rot. Bonds3

About 2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethanamine

2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethanamine (PubChem CID 16791029) has the molecular formula C14H16N2O and a molecular weight of 228.30 g/mol. Its IUPAC name is 2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethanamine.

Molecular Properties

Compound Name2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethanamine
PubChem CID16791029
Molecular FormulaC14H16N2O
Molecular Weight228.30 g/mol
Exact Mass228.13
IUPAC Name2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethanamine
SMILESNCC(c1ccco1)N1CCc2ccccc21
InChIInChI=1S/C14H16N2O/c15-10-13(14-6-3-9-17-14)16-8-7-11-4-1-2-5-12(11)16/h1-6,9,13H,7-8,10,15H2
InChIKeyOCAOAFAXAVCEKJ-UHFFFAOYSA-N
XLogP2.34
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethanamine?
The IUPAC name of 2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethanamine (CID 16791029) is 2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethanamine.
What is the SMILES notation for 2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethanamine?
The canonical SMILES for 2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethanamine is NCC(c1ccco1)N1CCc2ccccc21.
What is the InChIKey of 2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethanamine?
The InChIKey is OCAOAFAXAVCEKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c15-10-13(14-6-3-9-17-14)16-8-7-11-4-1-2-5-12(11)16/h1-6,9,13H,7-8,10,15H2.
What are the key properties of 2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethanamine?
2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethanamine has a molecular weight of 228.30 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethanamine is sourced from PubChem (CID 16791029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).