1-(4-chloro-3,3-dimethyl-2H-indol-1-yl)-2-(2-methoxyethylamino)ethanone;hydrochloride

C15H22Cl2N2O2 — CID 119760143

IUPAC1-(4-chloro-3,3-dimethyl-2H-indol-1-yl)-2-(2-methoxyethylamino)ethanone;hydrochloride
SMILESCOCCNCC(=O)N1CC(C)(C)c2c(Cl)cccc21.Cl
InChIInChI=1S/C15H21ClN2O2.ClH/c1-15(2)10-18(13(19)9-17-7-8-20-3)12-6-4-5-11(16)14(12)15;/h4-6,17H,7-10H2,1-3H3;1H
InChIKeyGLAFJPXYXGSCPW-UHFFFAOYSA-N
MW333.26 g/mol
LogP2.62
Rot. Bonds5

About 1-(4-chloro-3,3-dimethyl-2H-indol-1-yl)-2-(2-methoxyethylamino)ethanone;hydrochloride

1-(4-chloro-3,3-dimethyl-2H-indol-1-yl)-2-(2-methoxyethylamino)ethanone;hydrochloride (PubChem CID 119760143) has the molecular formula C15H22Cl2N2O2 and a molecular weight of 333.26 g/mol. Its IUPAC name is 1-(4-chloro-3,3-dimethyl-2H-indol-1-yl)-2-(2-methoxyethylamino)ethanone;hydrochloride.

Molecular Properties

Compound Name1-(4-chloro-3,3-dimethyl-2H-indol-1-yl)-2-(2-methoxyethylamino)ethanone;hydrochloride
PubChem CID119760143
Molecular FormulaC15H22Cl2N2O2
Molecular Weight333.26 g/mol
Exact Mass332.11
IUPAC Name1-(4-chloro-3,3-dimethyl-2H-indol-1-yl)-2-(2-methoxyethylamino)ethanone;hydrochloride
SMILESCOCCNCC(=O)N1CC(C)(C)c2c(Cl)cccc21.Cl
InChIInChI=1S/C15H21ClN2O2.ClH/c1-15(2)10-18(13(19)9-17-7-8-20-3)12-6-4-5-11(16)14(12)15;/h4-6,17H,7-10H2,1-3H3;1H
InChIKeyGLAFJPXYXGSCPW-UHFFFAOYSA-N
XLogP2.62
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.26
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-amino-1-(4-chloro-3,3-dimethyl-2H-indol-1-yl)-3-methoxybutan-1-one
CID 120590863
1-(2,3-dichlorophenyl)-3-(2-methoxyethylamino)propan-2-one
CID 107311411
(4-chloro-3,3-dimethyl-2H-indol-1-yl)-[5-(methoxymethyl)-1,2-oxazol-3-yl]methanone
CID 71995010
2-(4-chloro-3,3-dimethyl-2H-indol-1-yl)-N-(3-hydroxybutyl)-2-oxoacetamide
CID 111337514
N-[(2-chlorophenyl)methyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119673533
N-[2-(2-chlorophenyl)-2-methylpropyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119773052
4-chloro-N-(4-hydroxycyclohexyl)-3,3-dimethyl-2H-indole-1-carboxamide
CID 154805737
2-(4-chloro-3,3-dimethyl-2H-indol-1-yl)-N-(4-hydroxy-2-methylbutyl)-2-oxoacetamide
CID 111491029
2-amino-1-(4-chloro-3,3-dimethyl-2H-indol-1-yl)-4-methylsulfanylbutan-1-one
CID 154747250
N-(2,4-dichlorophenyl)-1-[2-(2-methoxyethylamino)acetyl]piperidine-2-carboxamide;hydrochloride
CID 119731326
1-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-2-(2-methoxyethylamino)ethanone
CID 119678902
1-[(2R)-2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]-2-(2-methoxyethylamino)ethanone
CID 124685548

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3,3-dimethyl-2H-indol-1-yl)-2-(2-methoxyethylamino)ethanone;hydrochloride?
The IUPAC name of 1-(4-chloro-3,3-dimethyl-2H-indol-1-yl)-2-(2-methoxyethylamino)ethanone;hydrochloride (CID 119760143) is 1-(4-chloro-3,3-dimethyl-2H-indol-1-yl)-2-(2-methoxyethylamino)ethanone;hydrochloride.
What is the SMILES notation for 1-(4-chloro-3,3-dimethyl-2H-indol-1-yl)-2-(2-methoxyethylamino)ethanone;hydrochloride?
The canonical SMILES for 1-(4-chloro-3,3-dimethyl-2H-indol-1-yl)-2-(2-methoxyethylamino)ethanone;hydrochloride is COCCNCC(=O)N1CC(C)(C)c2c(Cl)cccc21.Cl.
What is the InChIKey of 1-(4-chloro-3,3-dimethyl-2H-indol-1-yl)-2-(2-methoxyethylamino)ethanone;hydrochloride?
The InChIKey is GLAFJPXYXGSCPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O2.ClH/c1-15(2)10-18(13(19)9-17-7-8-20-3)12-6-4-5-11(16)14(12)15;/h4-6,17H,7-10H2,1-3H3;1H.
What are the key properties of 1-(4-chloro-3,3-dimethyl-2H-indol-1-yl)-2-(2-methoxyethylamino)ethanone;hydrochloride?
1-(4-chloro-3,3-dimethyl-2H-indol-1-yl)-2-(2-methoxyethylamino)ethanone;hydrochloride has a molecular weight of 333.26 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3,3-dimethyl-2H-indol-1-yl)-2-(2-methoxyethylamino)ethanone;hydrochloride is sourced from PubChem (CID 119760143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).