5-[amino-[3-(methylamino)phenyl]methyl]-1,3-dihydroindol-2-one

C16H17N3O — CID 116936683

IUPAC5-[amino-[3-(methylamino)phenyl]methyl]-1,3-dihydroindol-2-one
SMILESCNc1cccc(C(N)c2ccc3c(c2)CC(=O)N3)c1
InChIInChI=1S/C16H17N3O/c1-18-13-4-2-3-10(8-13)16(17)11-5-6-14-12(7-11)9-15(20)19-14/h2-8,16,18H,9,17H2,1H3,(H,19,20)
InChIKeyNATCFSKIZHUHGN-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.27
Rot. Bonds3

About 5-[amino-[3-(methylamino)phenyl]methyl]-1,3-dihydroindol-2-one

5-[amino-[3-(methylamino)phenyl]methyl]-1,3-dihydroindol-2-one (PubChem CID 116936683) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 5-[amino-[3-(methylamino)phenyl]methyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[amino-[3-(methylamino)phenyl]methyl]-1,3-dihydroindol-2-one
PubChem CID116936683
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name5-[amino-[3-(methylamino)phenyl]methyl]-1,3-dihydroindol-2-one
SMILESCNc1cccc(C(N)c2ccc3c(c2)CC(=O)N3)c1
InChIInChI=1S/C16H17N3O/c1-18-13-4-2-3-10(8-13)16(17)11-5-6-14-12(7-11)9-15(20)19-14/h2-8,16,18H,9,17H2,1H3,(H,19,20)
InChIKeyNATCFSKIZHUHGN-UHFFFAOYSA-N
XLogP2.27
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-[amino(naphthalen-2-yl)methyl]-1,3-dihydroindol-2-one
CID 43824898
5-[amino(pyridin-3-yl)methyl]-1,3-dihydroindol-2-one
CID 43198851
2-amino-N-methyl-2-(2-oxo-1,3-dihydroindol-5-yl)acetamide
CID 116850390
5-[amino-(3,5-dichlorophenyl)methyl]-1,3-dihydroindol-2-one
CID 43096298
5-[amino(pyridin-4-yl)methyl]-1,3-dihydroindol-2-one
CID 43198852
5-[amino-(2-fluoro-3-methylphenyl)methyl]-1,3-dihydroindol-2-one
CID 81477151
5-[1-amino-2-(methylamino)ethyl]-1,3-dihydroindol-2-one
CID 116932458
5-[amino-(2-bromo-3-methylphenyl)methyl]-1,3-dihydroindol-2-one
CID 107981813
5-[amino(chloro)methyl]-1,3-dihydroindol-2-one
CID 116947756
5-[amino(bromo)methyl]-1,3-dihydroindol-2-one
CID 116947599
5-[amino(1H-pyrazol-4-yl)methyl]-1,3-dihydroindol-2-one
CID 114988519
5-[amino-(2-bromophenyl)methyl]-1,3-dihydroindol-2-one
CID 43197937

Frequently Asked Questions

What is the IUPAC name of 5-[amino-[3-(methylamino)phenyl]methyl]-1,3-dihydroindol-2-one?
The IUPAC name of 5-[amino-[3-(methylamino)phenyl]methyl]-1,3-dihydroindol-2-one (CID 116936683) is 5-[amino-[3-(methylamino)phenyl]methyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[amino-[3-(methylamino)phenyl]methyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[amino-[3-(methylamino)phenyl]methyl]-1,3-dihydroindol-2-one is CNc1cccc(C(N)c2ccc3c(c2)CC(=O)N3)c1.
What is the InChIKey of 5-[amino-[3-(methylamino)phenyl]methyl]-1,3-dihydroindol-2-one?
The InChIKey is NATCFSKIZHUHGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-18-13-4-2-3-10(8-13)16(17)11-5-6-14-12(7-11)9-15(20)19-14/h2-8,16,18H,9,17H2,1H3,(H,19,20).
What are the key properties of 5-[amino-[3-(methylamino)phenyl]methyl]-1,3-dihydroindol-2-one?
5-[amino-[3-(methylamino)phenyl]methyl]-1,3-dihydroindol-2-one has a molecular weight of 267.33 g/mol, XLogP of 2.27, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[amino-[3-(methylamino)phenyl]methyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 116936683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).