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

C17H18N2O — CID 43197980

IUPAC5-[1-amino-2-(2-methylphenyl)ethyl]-1,3-dihydroindol-2-one
SMILESCc1ccccc1CC(N)c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C17H18N2O/c1-11-4-2-3-5-12(11)9-15(18)13-6-7-16-14(8-13)10-17(20)19-16/h2-8,15H,9-10,18H2,1H3,(H,19,20)
InChIKeyQYKFYUFQUIWVNW-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.73
Rot. Bonds3

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

5-[1-amino-2-(2-methylphenyl)ethyl]-1,3-dihydroindol-2-one (PubChem CID 43197980) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is 5-[1-amino-2-(2-methylphenyl)ethyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[1-amino-2-(2-methylphenyl)ethyl]-1,3-dihydroindol-2-one
PubChem CID43197980
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name5-[1-amino-2-(2-methylphenyl)ethyl]-1,3-dihydroindol-2-one
SMILESCc1ccccc1CC(N)c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C17H18N2O/c1-11-4-2-3-5-12(11)9-15(18)13-6-7-16-14(8-13)10-17(20)19-16/h2-8,15H,9-10,18H2,1H3,(H,19,20)
InChIKeyQYKFYUFQUIWVNW-UHFFFAOYSA-N
XLogP2.73
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-[1-amino-2-(3,4-dimethylphenyl)ethyl]-1,3-dihydroindol-2-one
CID 62553297
6-[1-chloro-2-(2-methylphenyl)ethyl]-3,4-dihydro-1H-quinolin-2-one
CID 61084763
5-[1-amino-2-(methylamino)ethyl]-1,3-dihydroindol-2-one
CID 116932458
5-[1-amino-2-(2-methylphenyl)ethyl]-1-methyl-3H-indol-2-one
CID 43119574
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-[amino-(2-fluoro-3-methylphenyl)methyl]-1,3-dihydroindol-2-one
CID 81477151
5-[amino-(2-bromo-3-methylphenyl)methyl]-1,3-dihydroindol-2-one
CID 107981813
5-[1-chloro-2-(2-fluorophenyl)ethyl]-1,3-dihydroindol-2-one
CID 61086410
5-(1-amino-3,5,5-trimethylhexyl)-1,3-dihydroindol-2-one
CID 43321079
methyl 2-[2-amino-2-(2-oxo-1,3-dihydroindol-5-yl)ethoxy]acetate
CID 61328373
5-[amino(bromo)methyl]-1,3-dihydroindol-2-one
CID 116947599

Frequently Asked Questions

What is the IUPAC name of 5-[1-amino-2-(2-methylphenyl)ethyl]-1,3-dihydroindol-2-one?
The IUPAC name of 5-[1-amino-2-(2-methylphenyl)ethyl]-1,3-dihydroindol-2-one (CID 43197980) is 5-[1-amino-2-(2-methylphenyl)ethyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[1-amino-2-(2-methylphenyl)ethyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[1-amino-2-(2-methylphenyl)ethyl]-1,3-dihydroindol-2-one is Cc1ccccc1CC(N)c1ccc2c(c1)CC(=O)N2.
What is the InChIKey of 5-[1-amino-2-(2-methylphenyl)ethyl]-1,3-dihydroindol-2-one?
The InChIKey is QYKFYUFQUIWVNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c1-11-4-2-3-5-12(11)9-15(18)13-6-7-16-14(8-13)10-17(20)19-16/h2-8,15H,9-10,18H2,1H3,(H,19,20).
What are the key properties of 5-[1-amino-2-(2-methylphenyl)ethyl]-1,3-dihydroindol-2-one?
5-[1-amino-2-(2-methylphenyl)ethyl]-1,3-dihydroindol-2-one has a molecular weight of 266.34 g/mol, XLogP of 2.73, 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-(2-methylphenyl)ethyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 43197980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).