2-(4-amino-7-ethoxy-3-ethyl-2-methyl-3a,4-dihydroindol-1-yl)ethanol

C15H24N2O2 — CID 129236651

IUPAC2-(4-amino-7-ethoxy-3-ethyl-2-methyl-3a,4-dihydroindol-1-yl)ethanol
SMILESCCOC1=C2C(C(CC)=C(C)N2CCO)C(N)C=C1
InChIInChI=1S/C15H24N2O2/c1-4-11-10(3)17(8-9-18)15-13(19-5-2)7-6-12(16)14(11)15/h6-7,12,14,18H,4-5,8-9,16H2,1-3H3
InChIKeyLXDAKKQYLLVITR-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.74
Rot. Bonds5

About 2-(4-amino-7-ethoxy-3-ethyl-2-methyl-3a,4-dihydroindol-1-yl)ethanol

2-(4-amino-7-ethoxy-3-ethyl-2-methyl-3a,4-dihydroindol-1-yl)ethanol (PubChem CID 129236651) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-(4-amino-7-ethoxy-3-ethyl-2-methyl-3a,4-dihydroindol-1-yl)ethanol.

Molecular Properties

Compound Name2-(4-amino-7-ethoxy-3-ethyl-2-methyl-3a,4-dihydroindol-1-yl)ethanol
PubChem CID129236651
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name2-(4-amino-7-ethoxy-3-ethyl-2-methyl-3a,4-dihydroindol-1-yl)ethanol
SMILESCCOC1=C2C(C(CC)=C(C)N2CCO)C(N)C=C1
InChIInChI=1S/C15H24N2O2/c1-4-11-10(3)17(8-9-18)15-13(19-5-2)7-6-12(16)14(11)15/h6-7,12,14,18H,4-5,8-9,16H2,1-3H3
InChIKeyLXDAKKQYLLVITR-UHFFFAOYSA-N
XLogP1.74
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-7-ethoxy-3-ethyl-2-methyl-3a,4-dihydroindol-1-yl)ethanol?
The IUPAC name of 2-(4-amino-7-ethoxy-3-ethyl-2-methyl-3a,4-dihydroindol-1-yl)ethanol (CID 129236651) is 2-(4-amino-7-ethoxy-3-ethyl-2-methyl-3a,4-dihydroindol-1-yl)ethanol.
What is the SMILES notation for 2-(4-amino-7-ethoxy-3-ethyl-2-methyl-3a,4-dihydroindol-1-yl)ethanol?
The canonical SMILES for 2-(4-amino-7-ethoxy-3-ethyl-2-methyl-3a,4-dihydroindol-1-yl)ethanol is CCOC1=C2C(C(CC)=C(C)N2CCO)C(N)C=C1.
What is the InChIKey of 2-(4-amino-7-ethoxy-3-ethyl-2-methyl-3a,4-dihydroindol-1-yl)ethanol?
The InChIKey is LXDAKKQYLLVITR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-4-11-10(3)17(8-9-18)15-13(19-5-2)7-6-12(16)14(11)15/h6-7,12,14,18H,4-5,8-9,16H2,1-3H3.
What are the key properties of 2-(4-amino-7-ethoxy-3-ethyl-2-methyl-3a,4-dihydroindol-1-yl)ethanol?
2-(4-amino-7-ethoxy-3-ethyl-2-methyl-3a,4-dihydroindol-1-yl)ethanol has a molecular weight of 264.37 g/mol, XLogP of 1.74, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-7-ethoxy-3-ethyl-2-methyl-3a,4-dihydroindol-1-yl)ethanol is sourced from PubChem (CID 129236651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).