(5-amino-2-methyl-2,3-dihydroindol-1-yl)-(2,6-dimethylphenyl)methanone

C18H20N2O — CID 107999893

IUPAC(5-amino-2-methyl-2,3-dihydroindol-1-yl)-(2,6-dimethylphenyl)methanone
SMILESCc1cccc(C)c1C(=O)N1c2ccc(N)cc2CC1C
InChIInChI=1S/C18H20N2O/c1-11-5-4-6-12(2)17(11)18(21)20-13(3)9-14-10-15(19)7-8-16(14)20/h4-8,10,13H,9,19H2,1-3H3
InChIKeyZMXOJPAEIYLWEJ-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.48
Rot. Bonds1

About (5-amino-2-methyl-2,3-dihydroindol-1-yl)-(2,6-dimethylphenyl)methanone

(5-amino-2-methyl-2,3-dihydroindol-1-yl)-(2,6-dimethylphenyl)methanone (PubChem CID 107999893) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is (5-amino-2-methyl-2,3-dihydroindol-1-yl)-(2,6-dimethylphenyl)methanone.

Molecular Properties

Compound Name(5-amino-2-methyl-2,3-dihydroindol-1-yl)-(2,6-dimethylphenyl)methanone
PubChem CID107999893
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name(5-amino-2-methyl-2,3-dihydroindol-1-yl)-(2,6-dimethylphenyl)methanone
SMILESCc1cccc(C)c1C(=O)N1c2ccc(N)cc2CC1C
InChIInChI=1S/C18H20N2O/c1-11-5-4-6-12(2)17(11)18(21)20-13(3)9-14-10-15(19)7-8-16(14)20/h4-8,10,13H,9,19H2,1-3H3
InChIKeyZMXOJPAEIYLWEJ-UHFFFAOYSA-N
XLogP3.48
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(5-amino-2-methyl-2,3-dihydroindol-1-yl)-(3-hydroxyphenyl)methanone
CID 43550159
5-amino-2-methyl-2,3-dihydroindole-1-carboxamide
CID 43551503
1-(5-amino-2-methyl-2,3-dihydroindol-1-yl)-2-(2-methylphenyl)ethanone
CID 43550125
(5-amino-2-methyl-2,3-dihydroindol-1-yl)-(5-fluoro-2-hydroxyphenyl)methanone
CID 115298349
(5-amino-2-methyl-2,3-dihydroindol-1-yl)-(5-chlorothiophen-2-yl)methanone
CID 62278189
(5-amino-2-methyl-2,3-dihydroindol-1-yl)-(1,5-dimethylpyrazol-4-yl)methanone
CID 43550098
(5-amino-2-methyl-2,3-dihydroindol-1-yl)-(3-ethylthiophen-2-yl)methanone
CID 79985768
(5-amino-2-methyl-2,3-dihydroindol-1-yl)-(2,5-dibromophenyl)methanone
CID 114367699
(5-amino-2-methyl-2,3-dihydroindol-1-yl)-(2-fluoro-4-hydroxyphenyl)methanone
CID 107674510
(5-amino-2-methyl-2,3-dihydroindol-1-yl)-cyclohexylmethanone
CID 43550187
(5-amino-2-methyl-2,3-dihydroindol-1-yl)-(azepan-1-yl)methanone
CID 79152708
(5-amino-2-methyl-2,3-dihydroindol-1-yl)-(2-methylcyclopentyl)methanone
CID 107174842

Frequently Asked Questions

What is the IUPAC name of (5-amino-2-methyl-2,3-dihydroindol-1-yl)-(2,6-dimethylphenyl)methanone?
The IUPAC name of (5-amino-2-methyl-2,3-dihydroindol-1-yl)-(2,6-dimethylphenyl)methanone (CID 107999893) is (5-amino-2-methyl-2,3-dihydroindol-1-yl)-(2,6-dimethylphenyl)methanone.
What is the SMILES notation for (5-amino-2-methyl-2,3-dihydroindol-1-yl)-(2,6-dimethylphenyl)methanone?
The canonical SMILES for (5-amino-2-methyl-2,3-dihydroindol-1-yl)-(2,6-dimethylphenyl)methanone is Cc1cccc(C)c1C(=O)N1c2ccc(N)cc2CC1C.
What is the InChIKey of (5-amino-2-methyl-2,3-dihydroindol-1-yl)-(2,6-dimethylphenyl)methanone?
The InChIKey is ZMXOJPAEIYLWEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-11-5-4-6-12(2)17(11)18(21)20-13(3)9-14-10-15(19)7-8-16(14)20/h4-8,10,13H,9,19H2,1-3H3.
What are the key properties of (5-amino-2-methyl-2,3-dihydroindol-1-yl)-(2,6-dimethylphenyl)methanone?
(5-amino-2-methyl-2,3-dihydroindol-1-yl)-(2,6-dimethylphenyl)methanone has a molecular weight of 280.37 g/mol, XLogP of 3.48, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-2-methyl-2,3-dihydroindol-1-yl)-(2,6-dimethylphenyl)methanone is sourced from PubChem (CID 107999893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).