3-[2-(diethylamino)ethyl]-2,7-dimethyl-1H-indol-4-ol

C16H24N2O — CID 176685867

IUPAC3-[2-(diethylamino)ethyl]-2,7-dimethyl-1H-indol-4-ol
SMILESCCN(CC)CCc1c(C)[nH]c2c(C)ccc(O)c12
InChIInChI=1S/C16H24N2O/c1-5-18(6-2)10-9-13-12(4)17-16-11(3)7-8-14(19)15(13)16/h7-8,17,19H,5-6,9-10H2,1-4H3
InChIKeyKFIBUYKGWXLOHJ-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.37
Rot. Bonds5

About 3-[2-(diethylamino)ethyl]-2,7-dimethyl-1H-indol-4-ol

3-[2-(diethylamino)ethyl]-2,7-dimethyl-1H-indol-4-ol (PubChem CID 176685867) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 3-[2-(diethylamino)ethyl]-2,7-dimethyl-1H-indol-4-ol.

Molecular Properties

Compound Name3-[2-(diethylamino)ethyl]-2,7-dimethyl-1H-indol-4-ol
PubChem CID176685867
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name3-[2-(diethylamino)ethyl]-2,7-dimethyl-1H-indol-4-ol
SMILESCCN(CC)CCc1c(C)[nH]c2c(C)ccc(O)c12
InChIInChI=1S/C16H24N2O/c1-5-18(6-2)10-9-13-12(4)17-16-11(3)7-8-14(19)15(13)16/h7-8,17,19H,5-6,9-10H2,1-4H3
InChIKeyKFIBUYKGWXLOHJ-UHFFFAOYSA-N
XLogP3.37
TPSA39.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(diethylamino)ethyl]-2,7-dimethyl-1H-indol-4-ol?
The IUPAC name of 3-[2-(diethylamino)ethyl]-2,7-dimethyl-1H-indol-4-ol (CID 176685867) is 3-[2-(diethylamino)ethyl]-2,7-dimethyl-1H-indol-4-ol.
What is the SMILES notation for 3-[2-(diethylamino)ethyl]-2,7-dimethyl-1H-indol-4-ol?
The canonical SMILES for 3-[2-(diethylamino)ethyl]-2,7-dimethyl-1H-indol-4-ol is CCN(CC)CCc1c(C)[nH]c2c(C)ccc(O)c12.
What is the InChIKey of 3-[2-(diethylamino)ethyl]-2,7-dimethyl-1H-indol-4-ol?
The InChIKey is KFIBUYKGWXLOHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-5-18(6-2)10-9-13-12(4)17-16-11(3)7-8-14(19)15(13)16/h7-8,17,19H,5-6,9-10H2,1-4H3.
What are the key properties of 3-[2-(diethylamino)ethyl]-2,7-dimethyl-1H-indol-4-ol?
3-[2-(diethylamino)ethyl]-2,7-dimethyl-1H-indol-4-ol has a molecular weight of 260.38 g/mol, XLogP of 3.37, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(diethylamino)ethyl]-2,7-dimethyl-1H-indol-4-ol is sourced from PubChem (CID 176685867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).