2-(ethylamino)-1-(7-methoxy-2-methyl-1H-indol-3-yl)ethanone

C14H18N2O2 — CID 96675267

IUPAC2-(ethylamino)-1-(7-methoxy-2-methyl-1H-indol-3-yl)ethanone
SMILESCCNCC(=O)c1c(C)[nH]c2c(OC)cccc12
InChIInChI=1S/C14H18N2O2/c1-4-15-8-11(17)13-9(2)16-14-10(13)6-5-7-12(14)18-3/h5-7,15-16H,4,8H2,1-3H3
InChIKeyJAPNESHXJZZHOY-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.28
Rot. Bonds5

About 2-(ethylamino)-1-(7-methoxy-2-methyl-1H-indol-3-yl)ethanone

2-(ethylamino)-1-(7-methoxy-2-methyl-1H-indol-3-yl)ethanone (PubChem CID 96675267) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-(ethylamino)-1-(7-methoxy-2-methyl-1H-indol-3-yl)ethanone.

Molecular Properties

Compound Name2-(ethylamino)-1-(7-methoxy-2-methyl-1H-indol-3-yl)ethanone
PubChem CID96675267
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name2-(ethylamino)-1-(7-methoxy-2-methyl-1H-indol-3-yl)ethanone
SMILESCCNCC(=O)c1c(C)[nH]c2c(OC)cccc12
InChIInChI=1S/C14H18N2O2/c1-4-15-8-11(17)13-9(2)16-14-10(13)6-5-7-12(14)18-3/h5-7,15-16H,4,8H2,1-3H3
InChIKeyJAPNESHXJZZHOY-UHFFFAOYSA-N
XLogP2.28
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(7-bromo-2-methyl-1H-indol-3-yl)-2-(ethylamino)ethanone
CID 82502316
7-methoxy-2-methyl-1H-indole-3-carboxylic acid
CID 65335303
N-[(7-methoxy-2-methyl-1H-indol-3-yl)methyl]ethanamine
CID 65335513
7-methoxy-2-methyl-N-(pyridin-4-ylmethyl)-1H-indole-3-carboxamide
CID 110852178
7-methoxy-N-(3-methoxyphenyl)-2-methyl-1H-indole-3-carboxamide
CID 110859939
(4-fluoronaphthalen-1-yl)-(7-methoxy-2-methyl-1H-indol-3-yl)methanone
CID 19366786
2-(7-methoxy-2-methyl-1H-indol-3-yl)acetaldehyde
CID 112710911
N-(3-cyanophenyl)-7-methoxy-2-methyl-1H-indole-3-carboxamide
CID 110864775
3-amino-1-(7-fluoro-2-methyl-1H-indol-3-yl)propan-1-one
CID 96788078
1-(5-ethoxy-2-methyl-1H-indol-3-yl)-2-(ethylamino)ethanone
CID 98033002
1-(5-tert-butyl-2-methyl-1H-indol-3-yl)-2-(ethylamino)ethanone
CID 96679637
4,8-dimethoxy-3-(2-methylpropanoyl)-1H-quinolin-2-one
CID 19926889

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-1-(7-methoxy-2-methyl-1H-indol-3-yl)ethanone?
The IUPAC name of 2-(ethylamino)-1-(7-methoxy-2-methyl-1H-indol-3-yl)ethanone (CID 96675267) is 2-(ethylamino)-1-(7-methoxy-2-methyl-1H-indol-3-yl)ethanone.
What is the SMILES notation for 2-(ethylamino)-1-(7-methoxy-2-methyl-1H-indol-3-yl)ethanone?
The canonical SMILES for 2-(ethylamino)-1-(7-methoxy-2-methyl-1H-indol-3-yl)ethanone is CCNCC(=O)c1c(C)[nH]c2c(OC)cccc12.
What is the InChIKey of 2-(ethylamino)-1-(7-methoxy-2-methyl-1H-indol-3-yl)ethanone?
The InChIKey is JAPNESHXJZZHOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-4-15-8-11(17)13-9(2)16-14-10(13)6-5-7-12(14)18-3/h5-7,15-16H,4,8H2,1-3H3.
What are the key properties of 2-(ethylamino)-1-(7-methoxy-2-methyl-1H-indol-3-yl)ethanone?
2-(ethylamino)-1-(7-methoxy-2-methyl-1H-indol-3-yl)ethanone has a molecular weight of 246.31 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-1-(7-methoxy-2-methyl-1H-indol-3-yl)ethanone is sourced from PubChem (CID 96675267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).