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

C23H23FN2O — CID 58304001

IUPAC3-[2-(dimethylamino)ethyl]-7-fluoro-1-(naphthalen-2-ylmethyl)indol-4-ol
SMILESCN(C)CCc1cn(Cc2ccc3ccccc3c2)c2c(F)ccc(O)c12
InChIInChI=1S/C23H23FN2O/c1-25(2)12-11-19-15-26(23-20(24)9-10-21(27)22(19)23)14-16-7-8-17-5-3-4-6-18(17)13-16/h3-10,13,15,27H,11-12,14H2,1-2H3
InChIKeySHUXUBNBJHPTJL-UHFFFAOYSA-N
MW362.45 g/mol
LogP4.79
Rot. Bonds5

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

3-[2-(dimethylamino)ethyl]-7-fluoro-1-(naphthalen-2-ylmethyl)indol-4-ol (PubChem CID 58304001) has the molecular formula C23H23FN2O and a molecular weight of 362.45 g/mol. Its IUPAC name is 3-[2-(dimethylamino)ethyl]-7-fluoro-1-(naphthalen-2-ylmethyl)indol-4-ol.

Molecular Properties

Compound Name3-[2-(dimethylamino)ethyl]-7-fluoro-1-(naphthalen-2-ylmethyl)indol-4-ol
PubChem CID58304001
Molecular FormulaC23H23FN2O
Molecular Weight362.45 g/mol
Exact Mass362.18
IUPAC Name3-[2-(dimethylamino)ethyl]-7-fluoro-1-(naphthalen-2-ylmethyl)indol-4-ol
SMILESCN(C)CCc1cn(Cc2ccc3ccccc3c2)c2c(F)ccc(O)c12
InChIInChI=1S/C23H23FN2O/c1-25(2)12-11-19-15-26(23-20(24)9-10-21(27)22(19)23)14-16-7-8-17-5-3-4-6-18(17)13-16/h3-10,13,15,27H,11-12,14H2,1-2H3
InChIKeySHUXUBNBJHPTJL-UHFFFAOYSA-N
XLogP4.79
TPSA28.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 54.79
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]-7-fluoro-1-(naphthalen-2-ylmethyl)indol-4-ol?
The IUPAC name of 3-[2-(dimethylamino)ethyl]-7-fluoro-1-(naphthalen-2-ylmethyl)indol-4-ol (CID 58304001) is 3-[2-(dimethylamino)ethyl]-7-fluoro-1-(naphthalen-2-ylmethyl)indol-4-ol.
What is the SMILES notation for 3-[2-(dimethylamino)ethyl]-7-fluoro-1-(naphthalen-2-ylmethyl)indol-4-ol?
The canonical SMILES for 3-[2-(dimethylamino)ethyl]-7-fluoro-1-(naphthalen-2-ylmethyl)indol-4-ol is CN(C)CCc1cn(Cc2ccc3ccccc3c2)c2c(F)ccc(O)c12.
What is the InChIKey of 3-[2-(dimethylamino)ethyl]-7-fluoro-1-(naphthalen-2-ylmethyl)indol-4-ol?
The InChIKey is SHUXUBNBJHPTJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN2O/c1-25(2)12-11-19-15-26(23-20(24)9-10-21(27)22(19)23)14-16-7-8-17-5-3-4-6-18(17)13-16/h3-10,13,15,27H,11-12,14H2,1-2H3.
What are the key properties of 3-[2-(dimethylamino)ethyl]-7-fluoro-1-(naphthalen-2-ylmethyl)indol-4-ol?
3-[2-(dimethylamino)ethyl]-7-fluoro-1-(naphthalen-2-ylmethyl)indol-4-ol has a molecular weight of 362.45 g/mol, XLogP of 4.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)ethyl]-7-fluoro-1-(naphthalen-2-ylmethyl)indol-4-ol is sourced from PubChem (CID 58304001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).