2-(methylamino)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone;hydrochloride

C12H17ClN2O — CID 119669437

IUPAC2-(methylamino)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone;hydrochloride
SMILESCNCC(=O)N1c2ccccc2CC1C.Cl
InChIInChI=1S/C12H16N2O.ClH/c1-9-7-10-5-3-4-6-11(10)14(9)12(15)8-13-2;/h3-6,9,13H,7-8H2,1-2H3;1H
InChIKeyAMVRDGBUPCGICP-UHFFFAOYSA-N
MW240.73 g/mol
LogP1.61
Rot. Bonds2

About 2-(methylamino)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone;hydrochloride

2-(methylamino)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone;hydrochloride (PubChem CID 119669437) has the molecular formula C12H17ClN2O and a molecular weight of 240.73 g/mol. Its IUPAC name is 2-(methylamino)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone;hydrochloride.

Molecular Properties

Compound Name2-(methylamino)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone;hydrochloride
PubChem CID119669437
Molecular FormulaC12H17ClN2O
Molecular Weight240.73 g/mol
Exact Mass240.10
IUPAC Name2-(methylamino)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone;hydrochloride
SMILESCNCC(=O)N1c2ccccc2CC1C.Cl
InChIInChI=1S/C12H16N2O.ClH/c1-9-7-10-5-3-4-6-11(10)14(9)12(15)8-13-2;/h3-6,9,13H,7-8H2,1-2H3;1H
InChIKeyAMVRDGBUPCGICP-UHFFFAOYSA-N
XLogP1.61
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methyl-2,3-dihydroindol-1-yl)-2-(prop-2-ynylamino)ethanone
CID 78912909
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1,2-bis(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 73142226
2-(2-acetylanilino)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone
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2-(2-tert-butylanilino)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 109008215
N-methyl-2-[4-[[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]amino]phenyl]acetamide
CID 37224123
1-(2-methyl-2,3-dihydroindol-1-yl)-2-(pyridin-2-ylmethylamino)ethanone
CID 108999183
4-fluoro-N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]benzamide
CID 113001078
2-(2,4-dimethylanilino)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 9081007
1-(2-methyl-2,3-dihydroindol-1-yl)-2-[(5-methyl-1,2-oxazol-3-yl)amino]ethanone
CID 109011151
N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]thiophene-2-carboxamide
CID 110698086
2-(2,5-dimethylanilino)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone
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Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone;hydrochloride?
The IUPAC name of 2-(methylamino)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone;hydrochloride (CID 119669437) is 2-(methylamino)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone;hydrochloride.
What is the SMILES notation for 2-(methylamino)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone;hydrochloride?
The canonical SMILES for 2-(methylamino)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone;hydrochloride is CNCC(=O)N1c2ccccc2CC1C.Cl.
What is the InChIKey of 2-(methylamino)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone;hydrochloride?
The InChIKey is AMVRDGBUPCGICP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O.ClH/c1-9-7-10-5-3-4-6-11(10)14(9)12(15)8-13-2;/h3-6,9,13H,7-8H2,1-2H3;1H.
What are the key properties of 2-(methylamino)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone;hydrochloride?
2-(methylamino)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone;hydrochloride has a molecular weight of 240.73 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone;hydrochloride is sourced from PubChem (CID 119669437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).