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

C19H18N2O2 — CID 155557661

IUPACN-[[5-(furan-2-yl)furan-2-yl]methyl]-2-(1H-indol-3-yl)ethanamine
SMILESc1coc(-c2ccc(CNCCc3c[nH]c4ccccc34)o2)c1
InChIInChI=1S/C19H18N2O2/c1-2-5-17-16(4-1)14(12-21-17)9-10-20-13-15-7-8-19(23-15)18-6-3-11-22-18/h1-8,11-12,20-21H,9-10,13H2
InChIKeyXJAQTSZGTUFVGY-UHFFFAOYSA-N
MW306.37 g/mol
LogP4.35
Rot. Bonds6

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

N-[[5-(furan-2-yl)furan-2-yl]methyl]-2-(1H-indol-3-yl)ethanamine (PubChem CID 155557661) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is N-[[5-(furan-2-yl)furan-2-yl]methyl]-2-(1H-indol-3-yl)ethanamine.

Molecular Properties

Compound NameN-[[5-(furan-2-yl)furan-2-yl]methyl]-2-(1H-indol-3-yl)ethanamine
PubChem CID155557661
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC NameN-[[5-(furan-2-yl)furan-2-yl]methyl]-2-(1H-indol-3-yl)ethanamine
SMILESc1coc(-c2ccc(CNCCc3c[nH]c4ccccc34)o2)c1
InChIInChI=1S/C19H18N2O2/c1-2-5-17-16(4-1)14(12-21-17)9-10-20-13-15-7-8-19(23-15)18-6-3-11-22-18/h1-8,11-12,20-21H,9-10,13H2
InChIKeyXJAQTSZGTUFVGY-UHFFFAOYSA-N
XLogP4.35
TPSA54.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 54.35
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 N-[[5-(furan-2-yl)furan-2-yl]methyl]-2-(1H-indol-3-yl)ethanamine?
The IUPAC name of N-[[5-(furan-2-yl)furan-2-yl]methyl]-2-(1H-indol-3-yl)ethanamine (CID 155557661) is N-[[5-(furan-2-yl)furan-2-yl]methyl]-2-(1H-indol-3-yl)ethanamine.
What is the SMILES notation for N-[[5-(furan-2-yl)furan-2-yl]methyl]-2-(1H-indol-3-yl)ethanamine?
The canonical SMILES for N-[[5-(furan-2-yl)furan-2-yl]methyl]-2-(1H-indol-3-yl)ethanamine is c1coc(-c2ccc(CNCCc3c[nH]c4ccccc34)o2)c1.
What is the InChIKey of N-[[5-(furan-2-yl)furan-2-yl]methyl]-2-(1H-indol-3-yl)ethanamine?
The InChIKey is XJAQTSZGTUFVGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2/c1-2-5-17-16(4-1)14(12-21-17)9-10-20-13-15-7-8-19(23-15)18-6-3-11-22-18/h1-8,11-12,20-21H,9-10,13H2.
What are the key properties of N-[[5-(furan-2-yl)furan-2-yl]methyl]-2-(1H-indol-3-yl)ethanamine?
N-[[5-(furan-2-yl)furan-2-yl]methyl]-2-(1H-indol-3-yl)ethanamine has a molecular weight of 306.37 g/mol, XLogP of 4.35, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(furan-2-yl)furan-2-yl]methyl]-2-(1H-indol-3-yl)ethanamine is sourced from PubChem (CID 155557661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).