3-[2-(dimethylamino)ethyl]-1-ethylindol-4-ol

C14H20N2O — CID 58303886

IUPAC3-[2-(dimethylamino)ethyl]-1-ethylindol-4-ol
SMILESCCn1cc(CCN(C)C)c2c(O)cccc21
InChIInChI=1S/C14H20N2O/c1-4-16-10-11(8-9-15(2)3)14-12(16)6-5-7-13(14)17/h5-7,10,17H,4,8-9H2,1-3H3
InChIKeyPYJYLPCOHTVELW-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.47
Rot. Bonds4

About 3-[2-(dimethylamino)ethyl]-1-ethylindol-4-ol

3-[2-(dimethylamino)ethyl]-1-ethylindol-4-ol (PubChem CID 58303886) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 3-[2-(dimethylamino)ethyl]-1-ethylindol-4-ol.

Molecular Properties

Compound Name3-[2-(dimethylamino)ethyl]-1-ethylindol-4-ol
PubChem CID58303886
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name3-[2-(dimethylamino)ethyl]-1-ethylindol-4-ol
SMILESCCn1cc(CCN(C)C)c2c(O)cccc21
InChIInChI=1S/C14H20N2O/c1-4-16-10-11(8-9-15(2)3)14-12(16)6-5-7-13(14)17/h5-7,10,17H,4,8-9H2,1-3H3
InChIKeyPYJYLPCOHTVELW-UHFFFAOYSA-N
XLogP2.47
TPSA28.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)ethyl]-1-ethylindol-4-ol?
The IUPAC name of 3-[2-(dimethylamino)ethyl]-1-ethylindol-4-ol (CID 58303886) is 3-[2-(dimethylamino)ethyl]-1-ethylindol-4-ol.
What is the SMILES notation for 3-[2-(dimethylamino)ethyl]-1-ethylindol-4-ol?
The canonical SMILES for 3-[2-(dimethylamino)ethyl]-1-ethylindol-4-ol is CCn1cc(CCN(C)C)c2c(O)cccc21.
What is the InChIKey of 3-[2-(dimethylamino)ethyl]-1-ethylindol-4-ol?
The InChIKey is PYJYLPCOHTVELW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-4-16-10-11(8-9-15(2)3)14-12(16)6-5-7-13(14)17/h5-7,10,17H,4,8-9H2,1-3H3.
What are the key properties of 3-[2-(dimethylamino)ethyl]-1-ethylindol-4-ol?
3-[2-(dimethylamino)ethyl]-1-ethylindol-4-ol has a molecular weight of 232.33 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)ethyl]-1-ethylindol-4-ol is sourced from PubChem (CID 58303886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).