5-(5-amino-2-methylphenyl)-2,2-dimethyl-3H-inden-1-one

C18H19NO — CID 69068236

IUPAC5-(5-amino-2-methylphenyl)-2,2-dimethyl-3H-inden-1-one
SMILESCc1ccc(N)cc1-c1ccc2c(c1)CC(C)(C)C2=O
InChIInChI=1S/C18H19NO/c1-11-4-6-14(19)9-16(11)12-5-7-15-13(8-12)10-18(2,3)17(15)20/h4-9H,10,19H2,1-3H3
InChIKeyCAXJTXSOWYVPKK-UHFFFAOYSA-N
MW265.36 g/mol
LogP4.01
Rot. Bonds1

About 5-(5-amino-2-methylphenyl)-2,2-dimethyl-3H-inden-1-one

5-(5-amino-2-methylphenyl)-2,2-dimethyl-3H-inden-1-one (PubChem CID 69068236) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is 5-(5-amino-2-methylphenyl)-2,2-dimethyl-3H-inden-1-one.

Molecular Properties

Compound Name5-(5-amino-2-methylphenyl)-2,2-dimethyl-3H-inden-1-one
PubChem CID69068236
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC Name5-(5-amino-2-methylphenyl)-2,2-dimethyl-3H-inden-1-one
SMILESCc1ccc(N)cc1-c1ccc2c(c1)CC(C)(C)C2=O
InChIInChI=1S/C18H19NO/c1-11-4-6-14(19)9-16(11)12-5-7-15-13(8-12)10-18(2,3)17(15)20/h4-9H,10,19H2,1-3H3
InChIKeyCAXJTXSOWYVPKK-UHFFFAOYSA-N
XLogP4.01
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(5-amino-2-methylphenyl)-2,2-dimethyl-3H-inden-1-one?
The IUPAC name of 5-(5-amino-2-methylphenyl)-2,2-dimethyl-3H-inden-1-one (CID 69068236) is 5-(5-amino-2-methylphenyl)-2,2-dimethyl-3H-inden-1-one.
What is the SMILES notation for 5-(5-amino-2-methylphenyl)-2,2-dimethyl-3H-inden-1-one?
The canonical SMILES for 5-(5-amino-2-methylphenyl)-2,2-dimethyl-3H-inden-1-one is Cc1ccc(N)cc1-c1ccc2c(c1)CC(C)(C)C2=O.
What is the InChIKey of 5-(5-amino-2-methylphenyl)-2,2-dimethyl-3H-inden-1-one?
The InChIKey is CAXJTXSOWYVPKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO/c1-11-4-6-14(19)9-16(11)12-5-7-15-13(8-12)10-18(2,3)17(15)20/h4-9H,10,19H2,1-3H3.
What are the key properties of 5-(5-amino-2-methylphenyl)-2,2-dimethyl-3H-inden-1-one?
5-(5-amino-2-methylphenyl)-2,2-dimethyl-3H-inden-1-one has a molecular weight of 265.36 g/mol, XLogP of 4.01, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-amino-2-methylphenyl)-2,2-dimethyl-3H-inden-1-one is sourced from PubChem (CID 69068236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).