1-(5-amino-2-methyl-2,3-dihydroindol-1-yl)-2-(2-methylphenyl)ethanone

C18H20N2O — CID 43550125

IUPAC1-(5-amino-2-methyl-2,3-dihydroindol-1-yl)-2-(2-methylphenyl)ethanone
SMILESCc1ccccc1CC(=O)N1c2ccc(N)cc2CC1C
InChIInChI=1S/C18H20N2O/c1-12-5-3-4-6-14(12)11-18(21)20-13(2)9-15-10-16(19)7-8-17(15)20/h3-8,10,13H,9,11,19H2,1-2H3
InChIKeyNMWFTDMMIFHPJI-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.10
Rot. Bonds2

About 1-(5-amino-2-methyl-2,3-dihydroindol-1-yl)-2-(2-methylphenyl)ethanone

1-(5-amino-2-methyl-2,3-dihydroindol-1-yl)-2-(2-methylphenyl)ethanone (PubChem CID 43550125) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-(5-amino-2-methyl-2,3-dihydroindol-1-yl)-2-(2-methylphenyl)ethanone.

Molecular Properties

Compound Name1-(5-amino-2-methyl-2,3-dihydroindol-1-yl)-2-(2-methylphenyl)ethanone
PubChem CID43550125
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name1-(5-amino-2-methyl-2,3-dihydroindol-1-yl)-2-(2-methylphenyl)ethanone
SMILESCc1ccccc1CC(=O)N1c2ccc(N)cc2CC1C
InChIInChI=1S/C18H20N2O/c1-12-5-3-4-6-14(12)11-18(21)20-13(2)9-15-10-16(19)7-8-17(15)20/h3-8,10,13H,9,11,19H2,1-2H3
InChIKeyNMWFTDMMIFHPJI-UHFFFAOYSA-N
XLogP3.10
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(5-amino-2-methyl-2,3-dihydroindol-1-yl)-2-thiophen-2-ylethanone
CID 43550152
(5-amino-2-methyl-2,3-dihydroindol-1-yl)-(2,6-dimethylphenyl)methanone
CID 107999893
1-(5-amino-2-methyl-2,3-dihydroindol-1-yl)-2-thiophen-3-ylethanone
CID 43550096
5-amino-2-methyl-2,3-dihydroindole-1-carboxamide
CID 43551503
1-(5-amino-2-methyl-2,3-dihydroindol-1-yl)octan-1-one
CID 43550092
(5-amino-2-methyl-2,3-dihydroindol-1-yl)-(3-ethylthiophen-2-yl)methanone
CID 79985768
(5-amino-2-methyl-2,3-dihydroindol-1-yl)-(azepan-1-yl)methanone
CID 79152708
(5-amino-2-methyl-2,3-dihydroindol-1-yl)-cyclohexylmethanone
CID 43550187
(5-amino-2-methyl-2,3-dihydroindol-1-yl)-(3-hydroxyphenyl)methanone
CID 43550159
(5-amino-2-methyl-2,3-dihydroindol-1-yl)-(2-methylcyclopentyl)methanone
CID 107174842
1-acetyl-N,2-dimethyl-N-[(2-methylphenyl)methyl]-2,3-dihydroindole-5-sulfonamide
CID 51320229
2-amino-1-(2-methyl-1-propanoyl-2,3-dihydroindol-5-yl)propan-1-one
CID 82341096

Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-2-methyl-2,3-dihydroindol-1-yl)-2-(2-methylphenyl)ethanone?
The IUPAC name of 1-(5-amino-2-methyl-2,3-dihydroindol-1-yl)-2-(2-methylphenyl)ethanone (CID 43550125) is 1-(5-amino-2-methyl-2,3-dihydroindol-1-yl)-2-(2-methylphenyl)ethanone.
What is the SMILES notation for 1-(5-amino-2-methyl-2,3-dihydroindol-1-yl)-2-(2-methylphenyl)ethanone?
The canonical SMILES for 1-(5-amino-2-methyl-2,3-dihydroindol-1-yl)-2-(2-methylphenyl)ethanone is Cc1ccccc1CC(=O)N1c2ccc(N)cc2CC1C.
What is the InChIKey of 1-(5-amino-2-methyl-2,3-dihydroindol-1-yl)-2-(2-methylphenyl)ethanone?
The InChIKey is NMWFTDMMIFHPJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-12-5-3-4-6-14(12)11-18(21)20-13(2)9-15-10-16(19)7-8-17(15)20/h3-8,10,13H,9,11,19H2,1-2H3.
What are the key properties of 1-(5-amino-2-methyl-2,3-dihydroindol-1-yl)-2-(2-methylphenyl)ethanone?
1-(5-amino-2-methyl-2,3-dihydroindol-1-yl)-2-(2-methylphenyl)ethanone has a molecular weight of 280.37 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-2-methyl-2,3-dihydroindol-1-yl)-2-(2-methylphenyl)ethanone is sourced from PubChem (CID 43550125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).