5-[1-amino-2-(2-methylphenyl)ethyl]-1-methyl-3H-indol-2-one

C18H20N2O — CID 43119574

IUPAC5-[1-amino-2-(2-methylphenyl)ethyl]-1-methyl-3H-indol-2-one
SMILESCc1ccccc1CC(N)c1ccc2c(c1)CC(=O)N2C
InChIInChI=1S/C18H20N2O/c1-12-5-3-4-6-13(12)10-16(19)14-7-8-17-15(9-14)11-18(21)20(17)2/h3-9,16H,10-11,19H2,1-2H3
InChIKeyOKQQHUONOLHQME-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.76
Rot. Bonds3

About 5-[1-amino-2-(2-methylphenyl)ethyl]-1-methyl-3H-indol-2-one

5-[1-amino-2-(2-methylphenyl)ethyl]-1-methyl-3H-indol-2-one (PubChem CID 43119574) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is 5-[1-amino-2-(2-methylphenyl)ethyl]-1-methyl-3H-indol-2-one.

Molecular Properties

Compound Name5-[1-amino-2-(2-methylphenyl)ethyl]-1-methyl-3H-indol-2-one
PubChem CID43119574
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name5-[1-amino-2-(2-methylphenyl)ethyl]-1-methyl-3H-indol-2-one
SMILESCc1ccccc1CC(N)c1ccc2c(c1)CC(=O)N2C
InChIInChI=1S/C18H20N2O/c1-12-5-3-4-6-13(12)10-16(19)14-7-8-17-15(9-14)11-18(21)20(17)2/h3-9,16H,10-11,19H2,1-2H3
InChIKeyOKQQHUONOLHQME-UHFFFAOYSA-N
XLogP2.76
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-[1-amino-2-(2-fluorophenyl)ethyl]-1-methyl-3H-indol-2-one
CID 43119610
5-[1-amino-2-(methylamino)ethyl]-1-methyl-3H-indol-2-one
CID 116932459
5-[1-amino-2-(dimethylamino)ethyl]-1-methyl-3H-indol-2-one
CID 82290174
5-[1-amino-2-(2-methylphenyl)ethyl]-1,3-dihydroindol-2-one
CID 43197980
5-(1-amino-2-pyrrolidin-1-ylethyl)-1-methyl-3H-indol-2-one
CID 82301189
5-(1-amino-2-cyclobutylethyl)-1-methyl-3H-indol-2-one
CID 103162728
5-amino-5-(1-methyl-2-oxo-3H-indol-5-yl)pentanoic acid
CID 43119634
1-(2,3-dihydro-1H-inden-5-yl)-2-(2-methylphenyl)ethanamine
CID 43115557
2-(2-methylphenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 43100360
5-(1-amino-2-cyclohexylethyl)-1-methyl-3H-indol-2-one
CID 43119558
3-amino-3-(1-methyl-2-oxo-3H-indol-5-yl)propanehydrazide
CID 116848766
N-(1-methyl-2-oxo-3H-indol-5-yl)-1-(2-methylphenyl)methanesulfonamide
CID 41342513

Frequently Asked Questions

What is the IUPAC name of 5-[1-amino-2-(2-methylphenyl)ethyl]-1-methyl-3H-indol-2-one?
The IUPAC name of 5-[1-amino-2-(2-methylphenyl)ethyl]-1-methyl-3H-indol-2-one (CID 43119574) is 5-[1-amino-2-(2-methylphenyl)ethyl]-1-methyl-3H-indol-2-one.
What is the SMILES notation for 5-[1-amino-2-(2-methylphenyl)ethyl]-1-methyl-3H-indol-2-one?
The canonical SMILES for 5-[1-amino-2-(2-methylphenyl)ethyl]-1-methyl-3H-indol-2-one is Cc1ccccc1CC(N)c1ccc2c(c1)CC(=O)N2C.
What is the InChIKey of 5-[1-amino-2-(2-methylphenyl)ethyl]-1-methyl-3H-indol-2-one?
The InChIKey is OKQQHUONOLHQME-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-12-5-3-4-6-13(12)10-16(19)14-7-8-17-15(9-14)11-18(21)20(17)2/h3-9,16H,10-11,19H2,1-2H3.
What are the key properties of 5-[1-amino-2-(2-methylphenyl)ethyl]-1-methyl-3H-indol-2-one?
5-[1-amino-2-(2-methylphenyl)ethyl]-1-methyl-3H-indol-2-one has a molecular weight of 280.37 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-amino-2-(2-methylphenyl)ethyl]-1-methyl-3H-indol-2-one is sourced from PubChem (CID 43119574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).