2-(1H-indol-3-yl)-N-[(5-naphthalen-1-ylfuran-2-yl)methyl]ethanamine

C25H22N2O — CID 155539573

IUPAC2-(1H-indol-3-yl)-N-[(5-naphthalen-1-ylfuran-2-yl)methyl]ethanamine
SMILESc1ccc2c(-c3ccc(CNCCc4c[nH]c5ccccc45)o3)cccc2c1
InChIInChI=1S/C25H22N2O/c1-2-8-21-18(6-1)7-5-10-23(21)25-13-12-20(28-25)17-26-15-14-19-16-27-24-11-4-3-9-22(19)24/h1-13,16,26-27H,14-15,17H2
InChIKeySNCGAJOBROMOEI-UHFFFAOYSA-N
MW366.46 g/mol
LogP5.91
Rot. Bonds6

About 2-(1H-indol-3-yl)-N-[(5-naphthalen-1-ylfuran-2-yl)methyl]ethanamine

2-(1H-indol-3-yl)-N-[(5-naphthalen-1-ylfuran-2-yl)methyl]ethanamine (PubChem CID 155539573) has the molecular formula C25H22N2O and a molecular weight of 366.46 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-N-[(5-naphthalen-1-ylfuran-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-N-[(5-naphthalen-1-ylfuran-2-yl)methyl]ethanamine
PubChem CID155539573
Molecular FormulaC25H22N2O
Molecular Weight366.46 g/mol
Exact Mass366.17
IUPAC Name2-(1H-indol-3-yl)-N-[(5-naphthalen-1-ylfuran-2-yl)methyl]ethanamine
SMILESc1ccc2c(-c3ccc(CNCCc4c[nH]c5ccccc45)o3)cccc2c1
InChIInChI=1S/C25H22N2O/c1-2-8-21-18(6-1)7-5-10-23(21)25-13-12-20(28-25)17-26-15-14-19-16-27-24-11-4-3-9-22(19)24/h1-13,16,26-27H,14-15,17H2
InChIKeySNCGAJOBROMOEI-UHFFFAOYSA-N
XLogP5.91
TPSA40.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.46
LogP ≤ 55.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-(1H-indol-3-yl)-N-[(5-naphthalen-1-ylfuran-2-yl)methyl]ethanamine?
The IUPAC name of 2-(1H-indol-3-yl)-N-[(5-naphthalen-1-ylfuran-2-yl)methyl]ethanamine (CID 155539573) is 2-(1H-indol-3-yl)-N-[(5-naphthalen-1-ylfuran-2-yl)methyl]ethanamine.
What is the SMILES notation for 2-(1H-indol-3-yl)-N-[(5-naphthalen-1-ylfuran-2-yl)methyl]ethanamine?
The canonical SMILES for 2-(1H-indol-3-yl)-N-[(5-naphthalen-1-ylfuran-2-yl)methyl]ethanamine is c1ccc2c(-c3ccc(CNCCc4c[nH]c5ccccc45)o3)cccc2c1.
What is the InChIKey of 2-(1H-indol-3-yl)-N-[(5-naphthalen-1-ylfuran-2-yl)methyl]ethanamine?
The InChIKey is SNCGAJOBROMOEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O/c1-2-8-21-18(6-1)7-5-10-23(21)25-13-12-20(28-25)17-26-15-14-19-16-27-24-11-4-3-9-22(19)24/h1-13,16,26-27H,14-15,17H2.
What are the key properties of 2-(1H-indol-3-yl)-N-[(5-naphthalen-1-ylfuran-2-yl)methyl]ethanamine?
2-(1H-indol-3-yl)-N-[(5-naphthalen-1-ylfuran-2-yl)methyl]ethanamine has a molecular weight of 366.46 g/mol, XLogP of 5.91, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)-N-[(5-naphthalen-1-ylfuran-2-yl)methyl]ethanamine is sourced from PubChem (CID 155539573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).