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

C20H23FN2O2 — CID 58303948

IUPAC3-[2-(dimethylamino)ethyl]-7-fluoro-1-[(4-methoxyphenyl)methyl]indol-4-ol
SMILESCOc1ccc(Cn2cc(CCN(C)C)c3c(O)ccc(F)c32)cc1
InChIInChI=1S/C20H23FN2O2/c1-22(2)11-10-15-13-23(12-14-4-6-16(25-3)7-5-14)20-17(21)8-9-18(24)19(15)20/h4-9,13,24H,10-12H2,1-3H3
InChIKeyJIDKUYCUIQJXJS-UHFFFAOYSA-N
MW342.41 g/mol
LogP3.65
Rot. Bonds6

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

3-[2-(dimethylamino)ethyl]-7-fluoro-1-[(4-methoxyphenyl)methyl]indol-4-ol (PubChem CID 58303948) has the molecular formula C20H23FN2O2 and a molecular weight of 342.41 g/mol. Its IUPAC name is 3-[2-(dimethylamino)ethyl]-7-fluoro-1-[(4-methoxyphenyl)methyl]indol-4-ol.

Molecular Properties

Compound Name3-[2-(dimethylamino)ethyl]-7-fluoro-1-[(4-methoxyphenyl)methyl]indol-4-ol
PubChem CID58303948
Molecular FormulaC20H23FN2O2
Molecular Weight342.41 g/mol
Exact Mass342.17
IUPAC Name3-[2-(dimethylamino)ethyl]-7-fluoro-1-[(4-methoxyphenyl)methyl]indol-4-ol
SMILESCOc1ccc(Cn2cc(CCN(C)C)c3c(O)ccc(F)c32)cc1
InChIInChI=1S/C20H23FN2O2/c1-22(2)11-10-15-13-23(12-14-4-6-16(25-3)7-5-14)20-17(21)8-9-18(24)19(15)20/h4-9,13,24H,10-12H2,1-3H3
InChIKeyJIDKUYCUIQJXJS-UHFFFAOYSA-N
XLogP3.65
TPSA37.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.41
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)ethyl]-7-fluoro-1-[(4-methoxyphenyl)methyl]indol-4-ol?
The IUPAC name of 3-[2-(dimethylamino)ethyl]-7-fluoro-1-[(4-methoxyphenyl)methyl]indol-4-ol (CID 58303948) is 3-[2-(dimethylamino)ethyl]-7-fluoro-1-[(4-methoxyphenyl)methyl]indol-4-ol.
What is the SMILES notation for 3-[2-(dimethylamino)ethyl]-7-fluoro-1-[(4-methoxyphenyl)methyl]indol-4-ol?
The canonical SMILES for 3-[2-(dimethylamino)ethyl]-7-fluoro-1-[(4-methoxyphenyl)methyl]indol-4-ol is COc1ccc(Cn2cc(CCN(C)C)c3c(O)ccc(F)c32)cc1.
What is the InChIKey of 3-[2-(dimethylamino)ethyl]-7-fluoro-1-[(4-methoxyphenyl)methyl]indol-4-ol?
The InChIKey is JIDKUYCUIQJXJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O2/c1-22(2)11-10-15-13-23(12-14-4-6-16(25-3)7-5-14)20-17(21)8-9-18(24)19(15)20/h4-9,13,24H,10-12H2,1-3H3.
What are the key properties of 3-[2-(dimethylamino)ethyl]-7-fluoro-1-[(4-methoxyphenyl)methyl]indol-4-ol?
3-[2-(dimethylamino)ethyl]-7-fluoro-1-[(4-methoxyphenyl)methyl]indol-4-ol has a molecular weight of 342.41 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)ethyl]-7-fluoro-1-[(4-methoxyphenyl)methyl]indol-4-ol is sourced from PubChem (CID 58303948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).