5-[3-(aminomethyl)-N-methylanilino]-1,3-dihydroindol-2-one

C16H17N3O — CID 117041520

IUPAC5-[3-(aminomethyl)-N-methylanilino]-1,3-dihydroindol-2-one
SMILESCN(c1cccc(CN)c1)c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C16H17N3O/c1-19(13-4-2-3-11(7-13)10-17)14-5-6-15-12(8-14)9-16(20)18-15/h2-8H,9-10,17H2,1H3,(H,18,20)
InChIKeyBOOMJQIBFDKNOL-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.41
Rot. Bonds3

About 5-[3-(aminomethyl)-N-methylanilino]-1,3-dihydroindol-2-one

5-[3-(aminomethyl)-N-methylanilino]-1,3-dihydroindol-2-one (PubChem CID 117041520) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 5-[3-(aminomethyl)-N-methylanilino]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[3-(aminomethyl)-N-methylanilino]-1,3-dihydroindol-2-one
PubChem CID117041520
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name5-[3-(aminomethyl)-N-methylanilino]-1,3-dihydroindol-2-one
SMILESCN(c1cccc(CN)c1)c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C16H17N3O/c1-19(13-4-2-3-11(7-13)10-17)14-5-6-15-12(8-14)9-16(20)18-15/h2-8H,9-10,17H2,1H3,(H,18,20)
InChIKeyBOOMJQIBFDKNOL-UHFFFAOYSA-N
XLogP2.41
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Related Compounds

5-[3-aminopropyl(methyl)amino]-1,3-dihydroindol-2-one
CID 82493886
5-[4-aminobutyl(methyl)amino]-1,3-dihydroindol-2-one
CID 115201098
6-(3-amino-N-methylanilino)-3,4-dihydro-1H-quinolin-2-one
CID 117040900
5-[(4-amino-2,2-dimethylbutyl)-methylamino]-1,3-dihydroindol-2-one
CID 115204316
3-(aminomethyl)-N-(4-tert-butylphenyl)-N-methylaniline
CID 117029116
3-[3-(aminomethyl)-N-methylanilino]phenol
CID 107733668
3-methyl-3-[methyl-(2-oxo-1,3-dihydroindol-5-yl)amino]butanoic acid
CID 117042344
N-[3-(aminomethyl)phenyl]-N-methyl-1H-pyrrol-3-amine
CID 117041527
2-[methyl-(2-oxo-1,3-dihydroindol-5-yl)amino]-2-oxoacetic acid
CID 115141221
5-[(3-methoxyphenyl)methylsulfonyl]-1,3-dihydroindol-2-one
CID 18179648
5-[(2-aminocyclohexyl)-methylamino]-1,3-dihydroindol-2-one
CID 115117886
N-[3-(aminomethyl)phenyl]-3-chloro-N,4-dimethylaniline
CID 117029123

Frequently Asked Questions

What is the IUPAC name of 5-[3-(aminomethyl)-N-methylanilino]-1,3-dihydroindol-2-one?
The IUPAC name of 5-[3-(aminomethyl)-N-methylanilino]-1,3-dihydroindol-2-one (CID 117041520) is 5-[3-(aminomethyl)-N-methylanilino]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[3-(aminomethyl)-N-methylanilino]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[3-(aminomethyl)-N-methylanilino]-1,3-dihydroindol-2-one is CN(c1cccc(CN)c1)c1ccc2c(c1)CC(=O)N2.
What is the InChIKey of 5-[3-(aminomethyl)-N-methylanilino]-1,3-dihydroindol-2-one?
The InChIKey is BOOMJQIBFDKNOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-19(13-4-2-3-11(7-13)10-17)14-5-6-15-12(8-14)9-16(20)18-15/h2-8H,9-10,17H2,1H3,(H,18,20).
What are the key properties of 5-[3-(aminomethyl)-N-methylanilino]-1,3-dihydroindol-2-one?
5-[3-(aminomethyl)-N-methylanilino]-1,3-dihydroindol-2-one has a molecular weight of 267.33 g/mol, XLogP of 2.41, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(aminomethyl)-N-methylanilino]-1,3-dihydroindol-2-one is sourced from PubChem (CID 117041520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).