2-(2,3-dihydro-1H-indol-3-yl)-N-(furan-2-ylmethyl)ethanamine

C15H18N2O — CID 80577253

IUPAC2-(2,3-dihydro-1H-indol-3-yl)-N-(furan-2-ylmethyl)ethanamine
SMILESc1coc(CNCCC2CNc3ccccc32)c1
InChIInChI=1S/C15H18N2O/c1-2-6-15-14(5-1)12(10-17-15)7-8-16-11-13-4-3-9-18-13/h1-6,9,12,16-17H,7-8,10-11H2
InChIKeyPBOUYSFCEKAPCU-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.97
Rot. Bonds5

About 2-(2,3-dihydro-1H-indol-3-yl)-N-(furan-2-ylmethyl)ethanamine

2-(2,3-dihydro-1H-indol-3-yl)-N-(furan-2-ylmethyl)ethanamine (PubChem CID 80577253) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-indol-3-yl)-N-(furan-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-indol-3-yl)-N-(furan-2-ylmethyl)ethanamine
PubChem CID80577253
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name2-(2,3-dihydro-1H-indol-3-yl)-N-(furan-2-ylmethyl)ethanamine
SMILESc1coc(CNCCC2CNc3ccccc32)c1
InChIInChI=1S/C15H18N2O/c1-2-6-15-14(5-1)12(10-17-15)7-8-16-11-13-4-3-9-18-13/h1-6,9,12,16-17H,7-8,10-11H2
InChIKeyPBOUYSFCEKAPCU-UHFFFAOYSA-N
XLogP2.97
TPSA37.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-indol-3-yl)-N-(furan-2-ylmethyl)ethanamine?
The IUPAC name of 2-(2,3-dihydro-1H-indol-3-yl)-N-(furan-2-ylmethyl)ethanamine (CID 80577253) is 2-(2,3-dihydro-1H-indol-3-yl)-N-(furan-2-ylmethyl)ethanamine.
What is the SMILES notation for 2-(2,3-dihydro-1H-indol-3-yl)-N-(furan-2-ylmethyl)ethanamine?
The canonical SMILES for 2-(2,3-dihydro-1H-indol-3-yl)-N-(furan-2-ylmethyl)ethanamine is c1coc(CNCCC2CNc3ccccc32)c1.
What is the InChIKey of 2-(2,3-dihydro-1H-indol-3-yl)-N-(furan-2-ylmethyl)ethanamine?
The InChIKey is PBOUYSFCEKAPCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-2-6-15-14(5-1)12(10-17-15)7-8-16-11-13-4-3-9-18-13/h1-6,9,12,16-17H,7-8,10-11H2.
What are the key properties of 2-(2,3-dihydro-1H-indol-3-yl)-N-(furan-2-ylmethyl)ethanamine?
2-(2,3-dihydro-1H-indol-3-yl)-N-(furan-2-ylmethyl)ethanamine has a molecular weight of 242.32 g/mol, XLogP of 2.97, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-indol-3-yl)-N-(furan-2-ylmethyl)ethanamine is sourced from PubChem (CID 80577253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).