5-[amino-(3,5-dimethylphenyl)methyl]-1-methyl-3H-indol-2-one

C18H20N2O — CID 43119586

IUPAC5-[amino-(3,5-dimethylphenyl)methyl]-1-methyl-3H-indol-2-one
SMILESCc1cc(C)cc(C(N)c2ccc3c(c2)CC(=O)N3C)c1
InChIInChI=1S/C18H20N2O/c1-11-6-12(2)8-15(7-11)18(19)13-4-5-16-14(9-13)10-17(21)20(16)3/h4-9,18H,10,19H2,1-3H3
InChIKeyDICHQSFZRFUBDQ-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.87
Rot. Bonds2

About 5-[amino-(3,5-dimethylphenyl)methyl]-1-methyl-3H-indol-2-one

5-[amino-(3,5-dimethylphenyl)methyl]-1-methyl-3H-indol-2-one (PubChem CID 43119586) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is 5-[amino-(3,5-dimethylphenyl)methyl]-1-methyl-3H-indol-2-one.

Molecular Properties

Compound Name5-[amino-(3,5-dimethylphenyl)methyl]-1-methyl-3H-indol-2-one
PubChem CID43119586
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name5-[amino-(3,5-dimethylphenyl)methyl]-1-methyl-3H-indol-2-one
SMILESCc1cc(C)cc(C(N)c2ccc3c(c2)CC(=O)N3C)c1
InChIInChI=1S/C18H20N2O/c1-11-6-12(2)8-15(7-11)18(19)13-4-5-16-14(9-13)10-17(21)20(16)3/h4-9,18H,10,19H2,1-3H3
InChIKeyDICHQSFZRFUBDQ-UHFFFAOYSA-N
XLogP2.87
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-[chloro-(3,5-dimethylphenyl)methyl]-1-methyl-3H-indol-2-one
CID 61085613
5-(1,2-diamino-2-methylpropyl)-1-methyl-3H-indol-2-one
CID 116932622
5-[amino-(2-iodophenyl)methyl]-1-methyl-3H-indol-2-one
CID 43119567
5-(1-amino-2-hydroxypropyl)-1-methyl-3H-indol-2-one
CID 116859553
2-amino-2-(1-methyl-2-oxo-3H-indol-5-yl)acetamide
CID 116850751
5-[1-amino-2-(methylamino)ethyl]-1-methyl-3H-indol-2-one
CID 116932459
5-[(1R)-1-hydroxyethyl]-1-methyl-3H-indol-2-one
CID 82758338
5-(1-chloroethyl)-1-methyl-3H-indol-2-one
CID 61084186
5-(1-amino-2-pyrrolidin-1-ylethyl)-1-methyl-3H-indol-2-one
CID 82301189
5-[amino(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methyl]-1-methyl-3H-indol-2-one
CID 43464497
5-(1,2-diamino-3-hydroxypropyl)-1-methyl-3H-indol-2-one
CID 116942369
5-[1-amino-2-(dimethylamino)ethyl]-1-methyl-3H-indol-2-one
CID 82290174

Frequently Asked Questions

What is the IUPAC name of 5-[amino-(3,5-dimethylphenyl)methyl]-1-methyl-3H-indol-2-one?
The IUPAC name of 5-[amino-(3,5-dimethylphenyl)methyl]-1-methyl-3H-indol-2-one (CID 43119586) is 5-[amino-(3,5-dimethylphenyl)methyl]-1-methyl-3H-indol-2-one.
What is the SMILES notation for 5-[amino-(3,5-dimethylphenyl)methyl]-1-methyl-3H-indol-2-one?
The canonical SMILES for 5-[amino-(3,5-dimethylphenyl)methyl]-1-methyl-3H-indol-2-one is Cc1cc(C)cc(C(N)c2ccc3c(c2)CC(=O)N3C)c1.
What is the InChIKey of 5-[amino-(3,5-dimethylphenyl)methyl]-1-methyl-3H-indol-2-one?
The InChIKey is DICHQSFZRFUBDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-11-6-12(2)8-15(7-11)18(19)13-4-5-16-14(9-13)10-17(21)20(16)3/h4-9,18H,10,19H2,1-3H3.
What are the key properties of 5-[amino-(3,5-dimethylphenyl)methyl]-1-methyl-3H-indol-2-one?
5-[amino-(3,5-dimethylphenyl)methyl]-1-methyl-3H-indol-2-one has a molecular weight of 280.37 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[amino-(3,5-dimethylphenyl)methyl]-1-methyl-3H-indol-2-one is sourced from PubChem (CID 43119586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).