1-(4,5-dimethyl-1H-indol-3-yl)-2-(methylamino)ethanone

C13H16N2O — CID 96610998

IUPAC1-(4,5-dimethyl-1H-indol-3-yl)-2-(methylamino)ethanone
SMILESCNCC(=O)c1c[nH]c2ccc(C)c(C)c12
InChIInChI=1S/C13H16N2O/c1-8-4-5-11-13(9(8)2)10(6-15-11)12(16)7-14-3/h4-6,14-15H,7H2,1-3H3
InChIKeyZCFOSNSVQFBWAN-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.19
Rot. Bonds3

About 1-(4,5-dimethyl-1H-indol-3-yl)-2-(methylamino)ethanone

1-(4,5-dimethyl-1H-indol-3-yl)-2-(methylamino)ethanone (PubChem CID 96610998) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 1-(4,5-dimethyl-1H-indol-3-yl)-2-(methylamino)ethanone.

Molecular Properties

Compound Name1-(4,5-dimethyl-1H-indol-3-yl)-2-(methylamino)ethanone
PubChem CID96610998
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name1-(4,5-dimethyl-1H-indol-3-yl)-2-(methylamino)ethanone
SMILESCNCC(=O)c1c[nH]c2ccc(C)c(C)c12
InChIInChI=1S/C13H16N2O/c1-8-4-5-11-13(9(8)2)10(6-15-11)12(16)7-14-3/h4-6,14-15H,7H2,1-3H3
InChIKeyZCFOSNSVQFBWAN-UHFFFAOYSA-N
XLogP2.19
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4,5-dimethyl-1H-indol-3-yl)ethanone
CID 82405420
1-(5-bromo-1H-indol-3-yl)-2-(methylamino)ethanone;ethane
CID 162765516
1-(5-ethyl-1H-indol-3-yl)-2-(methylamino)ethanone
CID 82493050
3,5,6-trimethyl-1H-quinolin-4-one
CID 58678059
1-(6-bromo-2,3-dimethylphenyl)-2-(methylamino)ethanone
CID 84708836
1-(3-bromo-2-hydroxy-4-methylphenyl)-2-(methylamino)ethanone
CID 84709294
1-(4-methyl-1H-indol-3-yl)pentan-1-one
CID 43163359
1-[5-(difluoromethyl)-2-methylphenyl]-2-(methylamino)ethanone
CID 84679595
2-(methylamino)-1-(4-methylfuran-3-yl)ethanone
CID 96734131
1-(2-hydroxy-4,5-dimethylphenyl)-2-(methylamino)ethanone
CID 82605179
1-(4-tert-butyl-2-methylphenyl)-2-(methylamino)ethanone
CID 82493915
2-(methylamino)-N-[2-(4-methyl-1H-indol-3-yl)ethyl]acetamide
CID 119774518

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dimethyl-1H-indol-3-yl)-2-(methylamino)ethanone?
The IUPAC name of 1-(4,5-dimethyl-1H-indol-3-yl)-2-(methylamino)ethanone (CID 96610998) is 1-(4,5-dimethyl-1H-indol-3-yl)-2-(methylamino)ethanone.
What is the SMILES notation for 1-(4,5-dimethyl-1H-indol-3-yl)-2-(methylamino)ethanone?
The canonical SMILES for 1-(4,5-dimethyl-1H-indol-3-yl)-2-(methylamino)ethanone is CNCC(=O)c1c[nH]c2ccc(C)c(C)c12.
What is the InChIKey of 1-(4,5-dimethyl-1H-indol-3-yl)-2-(methylamino)ethanone?
The InChIKey is ZCFOSNSVQFBWAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-8-4-5-11-13(9(8)2)10(6-15-11)12(16)7-14-3/h4-6,14-15H,7H2,1-3H3.
What are the key properties of 1-(4,5-dimethyl-1H-indol-3-yl)-2-(methylamino)ethanone?
1-(4,5-dimethyl-1H-indol-3-yl)-2-(methylamino)ethanone has a molecular weight of 216.28 g/mol, XLogP of 2.19, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dimethyl-1H-indol-3-yl)-2-(methylamino)ethanone is sourced from PubChem (CID 96610998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).