N-[2-(1H-indol-3-yl)ethyl]-5-phenylfuran-2-amine

C20H18N2O — CID 155527359

IUPACN-[2-(1H-indol-3-yl)ethyl]-5-phenylfuran-2-amine
SMILESc1ccc(-c2ccc(NCCc3c[nH]c4ccccc34)o2)cc1
InChIInChI=1S/C20H18N2O/c1-2-6-15(7-3-1)19-10-11-20(23-19)21-13-12-16-14-22-18-9-5-4-8-17(16)18/h1-11,14,21-22H,12-13H2
InChIKeyQGIQUDBPNFPCQF-UHFFFAOYSA-N
MW302.38 g/mol
LogP5.08
Rot. Bonds5

About N-[2-(1H-indol-3-yl)ethyl]-5-phenylfuran-2-amine

N-[2-(1H-indol-3-yl)ethyl]-5-phenylfuran-2-amine (PubChem CID 155527359) has the molecular formula C20H18N2O and a molecular weight of 302.38 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]-5-phenylfuran-2-amine.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]-5-phenylfuran-2-amine
PubChem CID155527359
Molecular FormulaC20H18N2O
Molecular Weight302.38 g/mol
Exact Mass302.14
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]-5-phenylfuran-2-amine
SMILESc1ccc(-c2ccc(NCCc3c[nH]c4ccccc34)o2)cc1
InChIInChI=1S/C20H18N2O/c1-2-6-15(7-3-1)19-10-11-20(23-19)21-13-12-16-14-22-18-9-5-4-8-17(16)18/h1-11,14,21-22H,12-13H2
InChIKeyQGIQUDBPNFPCQF-UHFFFAOYSA-N
XLogP5.08
TPSA40.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.38
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-5-phenylfuran-2-amine?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-5-phenylfuran-2-amine (CID 155527359) is N-[2-(1H-indol-3-yl)ethyl]-5-phenylfuran-2-amine.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]-5-phenylfuran-2-amine?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]-5-phenylfuran-2-amine is c1ccc(-c2ccc(NCCc3c[nH]c4ccccc34)o2)cc1.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]-5-phenylfuran-2-amine?
The InChIKey is QGIQUDBPNFPCQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O/c1-2-6-15(7-3-1)19-10-11-20(23-19)21-13-12-16-14-22-18-9-5-4-8-17(16)18/h1-11,14,21-22H,12-13H2.
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]-5-phenylfuran-2-amine?
N-[2-(1H-indol-3-yl)ethyl]-5-phenylfuran-2-amine has a molecular weight of 302.38 g/mol, XLogP of 5.08, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)ethyl]-5-phenylfuran-2-amine is sourced from PubChem (CID 155527359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).