5-[1-amino-2-(3,4-dimethylphenyl)ethyl]-1,3-dihydroindol-2-one

C18H20N2O — CID 62553297

IUPAC5-[1-amino-2-(3,4-dimethylphenyl)ethyl]-1,3-dihydroindol-2-one
SMILESCc1ccc(CC(N)c2ccc3c(c2)CC(=O)N3)cc1C
InChIInChI=1S/C18H20N2O/c1-11-3-4-13(7-12(11)2)8-16(19)14-5-6-17-15(9-14)10-18(21)20-17/h3-7,9,16H,8,10,19H2,1-2H3,(H,20,21)
InChIKeyOAELBJHXGLCNCM-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.04
Rot. Bonds3

About 5-[1-amino-2-(3,4-dimethylphenyl)ethyl]-1,3-dihydroindol-2-one

5-[1-amino-2-(3,4-dimethylphenyl)ethyl]-1,3-dihydroindol-2-one (PubChem CID 62553297) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is 5-[1-amino-2-(3,4-dimethylphenyl)ethyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[1-amino-2-(3,4-dimethylphenyl)ethyl]-1,3-dihydroindol-2-one
PubChem CID62553297
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name5-[1-amino-2-(3,4-dimethylphenyl)ethyl]-1,3-dihydroindol-2-one
SMILESCc1ccc(CC(N)c2ccc3c(c2)CC(=O)N3)cc1C
InChIInChI=1S/C18H20N2O/c1-11-3-4-13(7-12(11)2)8-16(19)14-5-6-17-15(9-14)10-18(21)20-17/h3-7,9,16H,8,10,19H2,1-2H3,(H,20,21)
InChIKeyOAELBJHXGLCNCM-UHFFFAOYSA-N
XLogP3.04
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-[1-amino-2-(2-methylphenyl)ethyl]-1,3-dihydroindol-2-one
CID 43197980
5-[1-amino-2-(methylamino)ethyl]-1,3-dihydroindol-2-one
CID 116932458
5-[1-bromo-2-(4-methylphenyl)ethyl]-1,3-dihydroindol-2-one
CID 61097737
5-(1-amino-3,5,5-trimethylhexyl)-1,3-dihydroindol-2-one
CID 43321079
5-[amino(bromo)methyl]-1,3-dihydroindol-2-one
CID 116947599
5-[amino(chloro)methyl]-1,3-dihydroindol-2-one
CID 116947756
5-[amino-(2,6-difluoro-3-methylphenyl)methyl]-1,3-dihydroindol-2-one
CID 82796773
2-(2,3-dihydro-1H-inden-5-yl)-1-(3,4-dimethylphenyl)ethanamine
CID 115864878
methane;5-propan-2-yl-1,3-dihydroindol-2-one
CID 160830162
methyl 2-[2-amino-2-(2-oxo-1,3-dihydroindol-5-yl)ethoxy]acetate
CID 61328373
1-(3,4-dimethylphenyl)-2-(4-fluorophenyl)ethanamine
CID 43149151
5-[1-amino-3-(2,2-difluoroethoxy)propyl]-1,3-dihydroindol-2-one
CID 103207060

Frequently Asked Questions

What is the IUPAC name of 5-[1-amino-2-(3,4-dimethylphenyl)ethyl]-1,3-dihydroindol-2-one?
The IUPAC name of 5-[1-amino-2-(3,4-dimethylphenyl)ethyl]-1,3-dihydroindol-2-one (CID 62553297) is 5-[1-amino-2-(3,4-dimethylphenyl)ethyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[1-amino-2-(3,4-dimethylphenyl)ethyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[1-amino-2-(3,4-dimethylphenyl)ethyl]-1,3-dihydroindol-2-one is Cc1ccc(CC(N)c2ccc3c(c2)CC(=O)N3)cc1C.
What is the InChIKey of 5-[1-amino-2-(3,4-dimethylphenyl)ethyl]-1,3-dihydroindol-2-one?
The InChIKey is OAELBJHXGLCNCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-11-3-4-13(7-12(11)2)8-16(19)14-5-6-17-15(9-14)10-18(21)20-17/h3-7,9,16H,8,10,19H2,1-2H3,(H,20,21).
What are the key properties of 5-[1-amino-2-(3,4-dimethylphenyl)ethyl]-1,3-dihydroindol-2-one?
5-[1-amino-2-(3,4-dimethylphenyl)ethyl]-1,3-dihydroindol-2-one has a molecular weight of 280.37 g/mol, XLogP of 3.04, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-amino-2-(3,4-dimethylphenyl)ethyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 62553297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).