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

C20H20N2O2 — CID 53494133

IUPACN,N-bis(furan-2-ylmethyl)-2-(1H-indol-3-yl)ethanamine
SMILESc1coc(CN(CCc2c[nH]c3ccccc23)Cc2ccco2)c1
InChIInChI=1S/C20H20N2O2/c1-2-8-20-19(7-1)16(13-21-20)9-10-22(14-17-5-3-11-23-17)15-18-6-4-12-24-18/h1-8,11-13,21H,9-10,14-15H2
InChIKeyKWAIACHRWBDFKW-UHFFFAOYSA-N
MW320.39 g/mol
LogP4.60
Rot. Bonds7

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

N,N-bis(furan-2-ylmethyl)-2-(1H-indol-3-yl)ethanamine (PubChem CID 53494133) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is N,N-bis(furan-2-ylmethyl)-2-(1H-indol-3-yl)ethanamine.

Molecular Properties

Compound NameN,N-bis(furan-2-ylmethyl)-2-(1H-indol-3-yl)ethanamine
PubChem CID53494133
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC NameN,N-bis(furan-2-ylmethyl)-2-(1H-indol-3-yl)ethanamine
SMILESc1coc(CN(CCc2c[nH]c3ccccc23)Cc2ccco2)c1
InChIInChI=1S/C20H20N2O2/c1-2-8-20-19(7-1)16(13-21-20)9-10-22(14-17-5-3-11-23-17)15-18-6-4-12-24-18/h1-8,11-13,21H,9-10,14-15H2
InChIKeyKWAIACHRWBDFKW-UHFFFAOYSA-N
XLogP4.60
TPSA45.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(furan-2-ylmethyl)-2-(1H-indol-3-yl)ethanamine?
The IUPAC name of N,N-bis(furan-2-ylmethyl)-2-(1H-indol-3-yl)ethanamine (CID 53494133) is N,N-bis(furan-2-ylmethyl)-2-(1H-indol-3-yl)ethanamine.
What is the SMILES notation for N,N-bis(furan-2-ylmethyl)-2-(1H-indol-3-yl)ethanamine?
The canonical SMILES for N,N-bis(furan-2-ylmethyl)-2-(1H-indol-3-yl)ethanamine is c1coc(CN(CCc2c[nH]c3ccccc23)Cc2ccco2)c1.
What is the InChIKey of N,N-bis(furan-2-ylmethyl)-2-(1H-indol-3-yl)ethanamine?
The InChIKey is KWAIACHRWBDFKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2/c1-2-8-20-19(7-1)16(13-21-20)9-10-22(14-17-5-3-11-23-17)15-18-6-4-12-24-18/h1-8,11-13,21H,9-10,14-15H2.
What are the key properties of N,N-bis(furan-2-ylmethyl)-2-(1H-indol-3-yl)ethanamine?
N,N-bis(furan-2-ylmethyl)-2-(1H-indol-3-yl)ethanamine has a molecular weight of 320.39 g/mol, XLogP of 4.60, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(furan-2-ylmethyl)-2-(1H-indol-3-yl)ethanamine is sourced from PubChem (CID 53494133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).