1-anilino-3-ethyl-2,6-dimethylindol-5-ol

C18H20N2O — CID 14962174

IUPAC1-anilino-3-ethyl-2,6-dimethylindol-5-ol
SMILESCCc1c(C)n(Nc2ccccc2)c2cc(C)c(O)cc12
InChIInChI=1S/C18H20N2O/c1-4-15-13(3)20(19-14-8-6-5-7-9-14)17-10-12(2)18(21)11-16(15)17/h5-11,19,21H,4H2,1-3H3
InChIKeyMQBQNUIRYAPFHL-UHFFFAOYSA-N
MW280.37 g/mol
LogP4.40
Rot. Bonds3

About 1-anilino-3-ethyl-2,6-dimethylindol-5-ol

1-anilino-3-ethyl-2,6-dimethylindol-5-ol (PubChem CID 14962174) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-anilino-3-ethyl-2,6-dimethylindol-5-ol.

Molecular Properties

Compound Name1-anilino-3-ethyl-2,6-dimethylindol-5-ol
PubChem CID14962174
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name1-anilino-3-ethyl-2,6-dimethylindol-5-ol
SMILESCCc1c(C)n(Nc2ccccc2)c2cc(C)c(O)cc12
InChIInChI=1S/C18H20N2O/c1-4-15-13(3)20(19-14-8-6-5-7-9-14)17-10-12(2)18(21)11-16(15)17/h5-11,19,21H,4H2,1-3H3
InChIKeyMQBQNUIRYAPFHL-UHFFFAOYSA-N
XLogP4.40
TPSA37.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-anilino-3-ethyl-2,6-dimethylindol-5-ol?
The IUPAC name of 1-anilino-3-ethyl-2,6-dimethylindol-5-ol (CID 14962174) is 1-anilino-3-ethyl-2,6-dimethylindol-5-ol.
What is the SMILES notation for 1-anilino-3-ethyl-2,6-dimethylindol-5-ol?
The canonical SMILES for 1-anilino-3-ethyl-2,6-dimethylindol-5-ol is CCc1c(C)n(Nc2ccccc2)c2cc(C)c(O)cc12.
What is the InChIKey of 1-anilino-3-ethyl-2,6-dimethylindol-5-ol?
The InChIKey is MQBQNUIRYAPFHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-4-15-13(3)20(19-14-8-6-5-7-9-14)17-10-12(2)18(21)11-16(15)17/h5-11,19,21H,4H2,1-3H3.
What are the key properties of 1-anilino-3-ethyl-2,6-dimethylindol-5-ol?
1-anilino-3-ethyl-2,6-dimethylindol-5-ol has a molecular weight of 280.37 g/mol, XLogP of 4.40, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-anilino-3-ethyl-2,6-dimethylindol-5-ol is sourced from PubChem (CID 14962174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).