[(2S)-2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]-[(5-methylfuran-2-yl)methyl]azanium

C24H27N2O3+ — CID 9449845

About [(2S)-2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]-[(5-methylfuran-2-yl)methyl]azanium

[(2S)-2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]-[(5-methylfuran-2-yl)methyl]azanium (PubChem CID 9449845) has the molecular formula C24H27N2O3+ and a molecular weight of 391.49 g/mol. Its IUPAC name is [(2S)-2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]-[(5-methylfuran-2-yl)methyl]azanium.

Molecular Properties

• Compound Name: [(2S)-2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]-[(5-methylfuran-2-yl)methyl]azanium
• PubChem CID: 9449845
• Molecular Formula: C24H27N2O3+
• Molecular Weight: 391.49 g/mol
• Exact Mass: 391.20
• IUPAC Name: [(2S)-2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]-[(5-methylfuran-2-yl)methyl]azanium
• SMILES: COc1cccc([C@@H](C[NH2+]Cc2ccc(C)o2)c2c[nH]c3ccccc23)c1OC
• InChI: InChI=1S/C24H26N2O3/c1-16-11-12-17(29-16)13-25-14-20(19-8-6-10-23(27-2)24(19)28-3)21-15-26-22-9-5-4-7-18(21)22/h4-12,15,20,25-26H,13-14H2,1-3H3/p+1/t20-/m1/s1
• InChIKey: GCHNEFGOZQFHKL-HXUWFJFHSA-O
• XLogP: 3.98
• TPSA: 64.00 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	391.49
LogP ≤ 5	3.98
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]-[(5-methylfuran-2-yl)methyl]azanium?

The IUPAC name of [(2S)-2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]-[(5-methylfuran-2-yl)methyl]azanium (CID 9449845) is [(2S)-2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]-[(5-methylfuran-2-yl)methyl]azanium.

What is the SMILES notation for [(2S)-2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]-[(5-methylfuran-2-yl)methyl]azanium?

The canonical SMILES for [(2S)-2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]-[(5-methylfuran-2-yl)methyl]azanium is COc1cccc([C@@H](C[NH2+]Cc2ccc(C)o2)c2c[nH]c3ccccc23)c1OC.

What is the InChIKey of [(2S)-2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]-[(5-methylfuran-2-yl)methyl]azanium?

The InChIKey is GCHNEFGOZQFHKL-HXUWFJFHSA-O. The full InChI is InChI=1S/C24H26N2O3/c1-16-11-12-17(29-16)13-25-14-20(19-8-6-10-23(27-2)24(19)28-3)21-15-26-22-9-5-4-7-18(21)22/h4-12,15,20,25-26H,13-14H2,1-3H3/p+1/t20-/m1/s1.

What are the key properties of [(2S)-2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]-[(5-methylfuran-2-yl)methyl]azanium?

[(2S)-2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]-[(5-methylfuran-2-yl)methyl]azanium has a molecular weight of 391.49 g/mol, XLogP of 3.98, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for [(2S)-2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]-[(5-methylfuran-2-yl)methyl]azanium is sourced from PubChem (CID 9449845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).