2-[4-(ethylamino)-7-(2-hydroxyethoxy)-2,3-dimethylindol-1-yl]ethanol

C16H24N2O3 — CID 67989227

IUPAC2-[4-(ethylamino)-7-(2-hydroxyethoxy)-2,3-dimethylindol-1-yl]ethanol
SMILESCCNc1ccc(OCCO)c2c1c(C)c(C)n2CCO
InChIInChI=1S/C16H24N2O3/c1-4-17-13-5-6-14(21-10-9-20)16-15(13)11(2)12(3)18(16)7-8-19/h5-6,17,19-20H,4,7-10H2,1-3H3
InChIKeySFHZEMZRLBMLJW-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.05
Rot. Bonds7

About 2-[4-(ethylamino)-7-(2-hydroxyethoxy)-2,3-dimethylindol-1-yl]ethanol

2-[4-(ethylamino)-7-(2-hydroxyethoxy)-2,3-dimethylindol-1-yl]ethanol (PubChem CID 67989227) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-[4-(ethylamino)-7-(2-hydroxyethoxy)-2,3-dimethylindol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-(ethylamino)-7-(2-hydroxyethoxy)-2,3-dimethylindol-1-yl]ethanol
PubChem CID67989227
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name2-[4-(ethylamino)-7-(2-hydroxyethoxy)-2,3-dimethylindol-1-yl]ethanol
SMILESCCNc1ccc(OCCO)c2c1c(C)c(C)n2CCO
InChIInChI=1S/C16H24N2O3/c1-4-17-13-5-6-14(21-10-9-20)16-15(13)11(2)12(3)18(16)7-8-19/h5-6,17,19-20H,4,7-10H2,1-3H3
InChIKeySFHZEMZRLBMLJW-UHFFFAOYSA-N
XLogP2.05
TPSA66.65 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(ethylamino)-7-(2-hydroxyethoxy)-2,3-dimethylindol-1-yl]ethanol?
The IUPAC name of 2-[4-(ethylamino)-7-(2-hydroxyethoxy)-2,3-dimethylindol-1-yl]ethanol (CID 67989227) is 2-[4-(ethylamino)-7-(2-hydroxyethoxy)-2,3-dimethylindol-1-yl]ethanol.
What is the SMILES notation for 2-[4-(ethylamino)-7-(2-hydroxyethoxy)-2,3-dimethylindol-1-yl]ethanol?
The canonical SMILES for 2-[4-(ethylamino)-7-(2-hydroxyethoxy)-2,3-dimethylindol-1-yl]ethanol is CCNc1ccc(OCCO)c2c1c(C)c(C)n2CCO.
What is the InChIKey of 2-[4-(ethylamino)-7-(2-hydroxyethoxy)-2,3-dimethylindol-1-yl]ethanol?
The InChIKey is SFHZEMZRLBMLJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-4-17-13-5-6-14(21-10-9-20)16-15(13)11(2)12(3)18(16)7-8-19/h5-6,17,19-20H,4,7-10H2,1-3H3.
What are the key properties of 2-[4-(ethylamino)-7-(2-hydroxyethoxy)-2,3-dimethylindol-1-yl]ethanol?
2-[4-(ethylamino)-7-(2-hydroxyethoxy)-2,3-dimethylindol-1-yl]ethanol has a molecular weight of 292.38 g/mol, XLogP of 2.05, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(ethylamino)-7-(2-hydroxyethoxy)-2,3-dimethylindol-1-yl]ethanol is sourced from PubChem (CID 67989227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).