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

C21H20N2O — CID 4723431

IUPAC2-(1H-indol-3-yl)-N-[(5-phenylfuran-2-yl)methyl]ethanamine
SMILESc1ccc(-c2ccc(CNCCc3c[nH]c4ccccc34)o2)cc1
InChIInChI=1S/C21H20N2O/c1-2-6-16(7-3-1)21-11-10-18(24-21)15-22-13-12-17-14-23-20-9-5-4-8-19(17)20/h1-11,14,22-23H,12-13,15H2
InChIKeyZMHSNTLJQRUNNJ-UHFFFAOYSA-N
MW316.40 g/mol
LogP4.76
Rot. Bonds6

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

2-(1H-indol-3-yl)-N-[(5-phenylfuran-2-yl)methyl]ethanamine (PubChem CID 4723431) has the molecular formula C21H20N2O and a molecular weight of 316.40 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-N-[(5-phenylfuran-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-N-[(5-phenylfuran-2-yl)methyl]ethanamine
PubChem CID4723431
Molecular FormulaC21H20N2O
Molecular Weight316.40 g/mol
Exact Mass316.16
IUPAC Name2-(1H-indol-3-yl)-N-[(5-phenylfuran-2-yl)methyl]ethanamine
SMILESc1ccc(-c2ccc(CNCCc3c[nH]c4ccccc34)o2)cc1
InChIInChI=1S/C21H20N2O/c1-2-6-16(7-3-1)21-11-10-18(24-21)15-22-13-12-17-14-23-20-9-5-4-8-19(17)20/h1-11,14,22-23H,12-13,15H2
InChIKeyZMHSNTLJQRUNNJ-UHFFFAOYSA-N
XLogP4.76
TPSA40.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 54.76
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-phenylfuran-2-yl)methyl]ethanamine?
The IUPAC name of 2-(1H-indol-3-yl)-N-[(5-phenylfuran-2-yl)methyl]ethanamine (CID 4723431) is 2-(1H-indol-3-yl)-N-[(5-phenylfuran-2-yl)methyl]ethanamine.
What is the SMILES notation for 2-(1H-indol-3-yl)-N-[(5-phenylfuran-2-yl)methyl]ethanamine?
The canonical SMILES for 2-(1H-indol-3-yl)-N-[(5-phenylfuran-2-yl)methyl]ethanamine is c1ccc(-c2ccc(CNCCc3c[nH]c4ccccc34)o2)cc1.
What is the InChIKey of 2-(1H-indol-3-yl)-N-[(5-phenylfuran-2-yl)methyl]ethanamine?
The InChIKey is ZMHSNTLJQRUNNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O/c1-2-6-16(7-3-1)21-11-10-18(24-21)15-22-13-12-17-14-23-20-9-5-4-8-19(17)20/h1-11,14,22-23H,12-13,15H2.
What are the key properties of 2-(1H-indol-3-yl)-N-[(5-phenylfuran-2-yl)methyl]ethanamine?
2-(1H-indol-3-yl)-N-[(5-phenylfuran-2-yl)methyl]ethanamine has a molecular weight of 316.40 g/mol, XLogP of 4.76, 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-phenylfuran-2-yl)methyl]ethanamine is sourced from PubChem (CID 4723431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).