(4-aminophenyl)-(1,6-dimethylindol-3-yl)methanone

C17H16N2O — CID 116547133

IUPAC(4-aminophenyl)-(1,6-dimethylindol-3-yl)methanone
SMILESCc1ccc2c(C(=O)c3ccc(N)cc3)cn(C)c2c1
InChIInChI=1S/C17H16N2O/c1-11-3-8-14-15(10-19(2)16(14)9-11)17(20)12-4-6-13(18)7-5-12/h3-10H,18H2,1-2H3
InChIKeyQHQHDTSLKIMGCA-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.30
Rot. Bonds2

About (4-aminophenyl)-(1,6-dimethylindol-3-yl)methanone

(4-aminophenyl)-(1,6-dimethylindol-3-yl)methanone (PubChem CID 116547133) has the molecular formula C17H16N2O and a molecular weight of 264.33 g/mol. Its IUPAC name is (4-aminophenyl)-(1,6-dimethylindol-3-yl)methanone.

Molecular Properties

Compound Name(4-aminophenyl)-(1,6-dimethylindol-3-yl)methanone
PubChem CID116547133
Molecular FormulaC17H16N2O
Molecular Weight264.33 g/mol
Exact Mass264.13
IUPAC Name(4-aminophenyl)-(1,6-dimethylindol-3-yl)methanone
SMILESCc1ccc2c(C(=O)c3ccc(N)cc3)cn(C)c2c1
InChIInChI=1S/C17H16N2O/c1-11-3-8-14-15(10-19(2)16(14)9-11)17(20)12-4-6-13(18)7-5-12/h3-10H,18H2,1-2H3
InChIKeyQHQHDTSLKIMGCA-UHFFFAOYSA-N
XLogP3.30
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-aminophenyl)-(1,6-dimethylindol-3-yl)methanone?
The IUPAC name of (4-aminophenyl)-(1,6-dimethylindol-3-yl)methanone (CID 116547133) is (4-aminophenyl)-(1,6-dimethylindol-3-yl)methanone.
What is the SMILES notation for (4-aminophenyl)-(1,6-dimethylindol-3-yl)methanone?
The canonical SMILES for (4-aminophenyl)-(1,6-dimethylindol-3-yl)methanone is Cc1ccc2c(C(=O)c3ccc(N)cc3)cn(C)c2c1.
What is the InChIKey of (4-aminophenyl)-(1,6-dimethylindol-3-yl)methanone?
The InChIKey is QHQHDTSLKIMGCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O/c1-11-3-8-14-15(10-19(2)16(14)9-11)17(20)12-4-6-13(18)7-5-12/h3-10H,18H2,1-2H3.
What are the key properties of (4-aminophenyl)-(1,6-dimethylindol-3-yl)methanone?
(4-aminophenyl)-(1,6-dimethylindol-3-yl)methanone has a molecular weight of 264.33 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminophenyl)-(1,6-dimethylindol-3-yl)methanone is sourced from PubChem (CID 116547133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).