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

C16H16N2O — CID 43181980

IUPAC3-[(3-methylphenyl)methylamino]-1,3-dihydroindol-2-one
SMILESCc1cccc(CNC2C(=O)Nc3ccccc32)c1
InChIInChI=1S/C16H16N2O/c1-11-5-4-6-12(9-11)10-17-15-13-7-2-3-8-14(13)18-16(15)19/h2-9,15,17H,10H2,1H3,(H,18,19)
InChIKeyYMYQGYHRCMLSCM-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.78
Rot. Bonds3

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

3-[(3-methylphenyl)methylamino]-1,3-dihydroindol-2-one (PubChem CID 43181980) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is 3-[(3-methylphenyl)methylamino]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-[(3-methylphenyl)methylamino]-1,3-dihydroindol-2-one
PubChem CID43181980
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC Name3-[(3-methylphenyl)methylamino]-1,3-dihydroindol-2-one
SMILESCc1cccc(CNC2C(=O)Nc3ccccc32)c1
InChIInChI=1S/C16H16N2O/c1-11-5-4-6-12(9-11)10-17-15-13-7-2-3-8-14(13)18-16(15)19/h2-9,15,17H,10H2,1H3,(H,18,19)
InChIKeyYMYQGYHRCMLSCM-UHFFFAOYSA-N
XLogP2.78
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-fluoro-3-[(3-methylphenyl)methylamino]-1,3-dihydroindol-2-one
CID 43204421
5-methyl-3-(2-phenylethylamino)-1,3-dihydroindol-2-one
CID 43194106
3-(2,4-dimethylanilino)-1,3-dihydroindol-2-one
CID 43189774
5-bromo-3-[(4-methylphenyl)methylamino]-1,3-dihydroindol-2-one
CID 43196080
N-methyl-2-[(2-oxo-1,3-dihydroindol-3-yl)amino]acetamide
CID 43214747
2,2-dimethyl-N-[(3-methylphenyl)methyl]-1,3-dihydroinden-1-amine
CID 82821630
N-[(3-methylphenyl)methyl]cyclopropanamine
CID 16776498
3-(cyclopentylmethylamino)-1,3-dihydroindol-2-one
CID 43370920
4-methyl-N-[(3-methylphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115418179
(3-methylphenyl)methylurea
CID 60776531
6-fluoro-3-(pyridin-4-ylmethylamino)-1,3-dihydroindol-2-one
CID 43204826
2,2-dimethyl-3-[(3-methylphenyl)methylamino]cyclobutan-1-ol
CID 112633293

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methylphenyl)methylamino]-1,3-dihydroindol-2-one?
The IUPAC name of 3-[(3-methylphenyl)methylamino]-1,3-dihydroindol-2-one (CID 43181980) is 3-[(3-methylphenyl)methylamino]-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-[(3-methylphenyl)methylamino]-1,3-dihydroindol-2-one?
The canonical SMILES for 3-[(3-methylphenyl)methylamino]-1,3-dihydroindol-2-one is Cc1cccc(CNC2C(=O)Nc3ccccc32)c1.
What is the InChIKey of 3-[(3-methylphenyl)methylamino]-1,3-dihydroindol-2-one?
The InChIKey is YMYQGYHRCMLSCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O/c1-11-5-4-6-12(9-11)10-17-15-13-7-2-3-8-14(13)18-16(15)19/h2-9,15,17H,10H2,1H3,(H,18,19).
What are the key properties of 3-[(3-methylphenyl)methylamino]-1,3-dihydroindol-2-one?
3-[(3-methylphenyl)methylamino]-1,3-dihydroindol-2-one has a molecular weight of 252.32 g/mol, XLogP of 2.78, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methylphenyl)methylamino]-1,3-dihydroindol-2-one is sourced from PubChem (CID 43181980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).