5-[1-(methylamino)-2-(3-methylphenyl)ethyl]-1,3-dihydroindol-2-one

C18H20N2O — CID 62387864

IUPAC5-[1-(methylamino)-2-(3-methylphenyl)ethyl]-1,3-dihydroindol-2-one
SMILESCNC(Cc1cccc(C)c1)c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C18H20N2O/c1-12-4-3-5-13(8-12)9-17(19-2)14-6-7-16-15(10-14)11-18(21)20-16/h3-8,10,17,19H,9,11H2,1-2H3,(H,20,21)
InChIKeyMEFZASKADCWXID-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.99
Rot. Bonds4

About 5-[1-(methylamino)-2-(3-methylphenyl)ethyl]-1,3-dihydroindol-2-one

5-[1-(methylamino)-2-(3-methylphenyl)ethyl]-1,3-dihydroindol-2-one (PubChem CID 62387864) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is 5-[1-(methylamino)-2-(3-methylphenyl)ethyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[1-(methylamino)-2-(3-methylphenyl)ethyl]-1,3-dihydroindol-2-one
PubChem CID62387864
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name5-[1-(methylamino)-2-(3-methylphenyl)ethyl]-1,3-dihydroindol-2-one
SMILESCNC(Cc1cccc(C)c1)c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C18H20N2O/c1-12-4-3-5-13(8-12)9-17(19-2)14-6-7-16-15(10-14)11-18(21)20-16/h3-8,10,17,19H,9,11H2,1-2H3,(H,20,21)
InChIKeyMEFZASKADCWXID-UHFFFAOYSA-N
XLogP2.99
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-[4-amino-1-(methylamino)butyl]-1,3-dihydroindol-2-one
CID 116949295
5-(1-chloro-2-phenylethyl)-1,3-dihydroindol-2-one
CID 61083581
5-[1-bromo-2-(4-methylphenyl)ethyl]-1,3-dihydroindol-2-one
CID 61097737
1-(3-bromophenyl)-N-methyl-2-(3-methylphenyl)ethanamine
CID 60818684
5-[(3-methoxyphenyl)-(methylamino)methyl]-1,3-dihydroindol-2-one
CID 43484817
5-[methylamino-(2,4,5-trimethylfuran-3-yl)methyl]-1,3-dihydroindol-2-one
CID 65151696
5-[1-amino-2-(3,4-dimethylphenyl)ethyl]-1,3-dihydroindol-2-one
CID 62553297
5-[3-amino-2,2-dimethyl-1-(methylamino)propyl]-1,3-dihydroindol-2-one
CID 116949019
methane;5-propan-2-yl-1,3-dihydroindol-2-one
CID 160830162
N-methyl-2-(methylamino)-2-(2-oxo-1,3-dihydroindol-5-yl)acetamide
CID 82475513
1-(3-cyclobutylphenyl)-N-methyl-2-(3-methylphenyl)ethanamine
CID 114602821
1-(3-bromo-4-methoxyphenyl)-N-methyl-2-(3-methylphenyl)ethanamine
CID 62389754

Frequently Asked Questions

What is the IUPAC name of 5-[1-(methylamino)-2-(3-methylphenyl)ethyl]-1,3-dihydroindol-2-one?
The IUPAC name of 5-[1-(methylamino)-2-(3-methylphenyl)ethyl]-1,3-dihydroindol-2-one (CID 62387864) is 5-[1-(methylamino)-2-(3-methylphenyl)ethyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[1-(methylamino)-2-(3-methylphenyl)ethyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[1-(methylamino)-2-(3-methylphenyl)ethyl]-1,3-dihydroindol-2-one is CNC(Cc1cccc(C)c1)c1ccc2c(c1)CC(=O)N2.
What is the InChIKey of 5-[1-(methylamino)-2-(3-methylphenyl)ethyl]-1,3-dihydroindol-2-one?
The InChIKey is MEFZASKADCWXID-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-12-4-3-5-13(8-12)9-17(19-2)14-6-7-16-15(10-14)11-18(21)20-16/h3-8,10,17,19H,9,11H2,1-2H3,(H,20,21).
What are the key properties of 5-[1-(methylamino)-2-(3-methylphenyl)ethyl]-1,3-dihydroindol-2-one?
5-[1-(methylamino)-2-(3-methylphenyl)ethyl]-1,3-dihydroindol-2-one has a molecular weight of 280.37 g/mol, XLogP of 2.99, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(methylamino)-2-(3-methylphenyl)ethyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 62387864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).