3-[2-(dimethylamino)ethyl]-7-fluoro-1H-indol-4-ol

C12H15FN2O — CID 10585117

IUPAC3-[2-(dimethylamino)ethyl]-7-fluoro-1H-indol-4-ol
SMILESCN(C)CCc1c[nH]c2c(F)ccc(O)c12
InChIInChI=1S/C12H15FN2O/c1-15(2)6-5-8-7-14-12-9(13)3-4-10(16)11(8)12/h3-4,7,14,16H,5-6H2,1-2H3
InChIKeyLPDHCZRVHHMQEB-UHFFFAOYSA-N
MW222.26 g/mol
LogP2.12
Rot. Bonds3

About 3-[2-(dimethylamino)ethyl]-7-fluoro-1H-indol-4-ol

3-[2-(dimethylamino)ethyl]-7-fluoro-1H-indol-4-ol (PubChem CID 10585117) has the molecular formula C12H15FN2O and a molecular weight of 222.26 g/mol. Its IUPAC name is 3-[2-(dimethylamino)ethyl]-7-fluoro-1H-indol-4-ol.

Molecular Properties

Compound Name3-[2-(dimethylamino)ethyl]-7-fluoro-1H-indol-4-ol
PubChem CID10585117
Molecular FormulaC12H15FN2O
Molecular Weight222.26 g/mol
Exact Mass222.12
IUPAC Name3-[2-(dimethylamino)ethyl]-7-fluoro-1H-indol-4-ol
SMILESCN(C)CCc1c[nH]c2c(F)ccc(O)c12
InChIInChI=1S/C12H15FN2O/c1-15(2)6-5-8-7-14-12-9(13)3-4-10(16)11(8)12/h3-4,7,14,16H,5-6H2,1-2H3
InChIKeyLPDHCZRVHHMQEB-UHFFFAOYSA-N
XLogP2.12
TPSA39.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.26
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)ethyl]-7-fluoro-1H-indol-4-ol?
The IUPAC name of 3-[2-(dimethylamino)ethyl]-7-fluoro-1H-indol-4-ol (CID 10585117) is 3-[2-(dimethylamino)ethyl]-7-fluoro-1H-indol-4-ol.
What is the SMILES notation for 3-[2-(dimethylamino)ethyl]-7-fluoro-1H-indol-4-ol?
The canonical SMILES for 3-[2-(dimethylamino)ethyl]-7-fluoro-1H-indol-4-ol is CN(C)CCc1c[nH]c2c(F)ccc(O)c12.
What is the InChIKey of 3-[2-(dimethylamino)ethyl]-7-fluoro-1H-indol-4-ol?
The InChIKey is LPDHCZRVHHMQEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O/c1-15(2)6-5-8-7-14-12-9(13)3-4-10(16)11(8)12/h3-4,7,14,16H,5-6H2,1-2H3.
What are the key properties of 3-[2-(dimethylamino)ethyl]-7-fluoro-1H-indol-4-ol?
3-[2-(dimethylamino)ethyl]-7-fluoro-1H-indol-4-ol has a molecular weight of 222.26 g/mol, XLogP of 2.12, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)ethyl]-7-fluoro-1H-indol-4-ol is sourced from PubChem (CID 10585117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).