3-[2-(dimethylamino)ethyl]-5,6,7-trifluoro-1H-indol-4-ol

C12H13F3N2O — CID 164763881

IUPAC3-[2-(dimethylamino)ethyl]-5,6,7-trifluoro-1H-indol-4-ol
SMILESCN(C)CCc1c[nH]c2c(F)c(F)c(F)c(O)c12
InChIInChI=1S/C12H13F3N2O/c1-17(2)4-3-6-5-16-11-7(6)12(18)10(15)8(13)9(11)14/h5,16,18H,3-4H2,1-2H3
InChIKeyJAIRYJYYUKJHAV-UHFFFAOYSA-N
MW258.24 g/mol
LogP2.39
Rot. Bonds3

About 3-[2-(dimethylamino)ethyl]-5,6,7-trifluoro-1H-indol-4-ol

3-[2-(dimethylamino)ethyl]-5,6,7-trifluoro-1H-indol-4-ol (PubChem CID 164763881) has the molecular formula C12H13F3N2O and a molecular weight of 258.24 g/mol. Its IUPAC name is 3-[2-(dimethylamino)ethyl]-5,6,7-trifluoro-1H-indol-4-ol.

Molecular Properties

Compound Name3-[2-(dimethylamino)ethyl]-5,6,7-trifluoro-1H-indol-4-ol
PubChem CID164763881
Molecular FormulaC12H13F3N2O
Molecular Weight258.24 g/mol
Exact Mass258.10
IUPAC Name3-[2-(dimethylamino)ethyl]-5,6,7-trifluoro-1H-indol-4-ol
SMILESCN(C)CCc1c[nH]c2c(F)c(F)c(F)c(O)c12
InChIInChI=1S/C12H13F3N2O/c1-17(2)4-3-6-5-16-11-7(6)12(18)10(15)8(13)9(11)14/h5,16,18H,3-4H2,1-2H3
InChIKeyJAIRYJYYUKJHAV-UHFFFAOYSA-N
XLogP2.39
TPSA39.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.24
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

[3-[2-(dimethylamino)ethyl]-6-fluoro-7-methyl-1H-indol-4-yl] acetate
CID 167469026
2-[7-fluoro-4-(methoxymethyl)-1H-indol-3-yl]-N,N-dimethylethanamine
CID 90836663
2-(4-fluoro-5-methoxy-1H-indol-3-yl)-N,N-dimethylethanamine
CID 10082834
3-[2-(dimethylamino)ethyl]-1H-pyrrolo[2,3-c]pyridin-4-ol
CID 163393165
1-(diaminomethylidene)-2-[2-(4,5,6,7-tetrafluoro-1H-indol-3-yl)ethyl]guanidine
CID 146250137
[3-[2-(dimethylamino)ethyl]-7-methyl-1H-indol-4-yl] dihydrogen phosphate
CID 162744827
2-(7-bromo-4-phenylmethoxy-1H-indol-3-yl)-N,N-dimethylethanamine
CID 11014184
3-[2-(dimethylamino)ethyl]-1H-indol-4-ol;2-hydroxypropanoic acid
CID 175999379
3-[2-(dimethylamino)ethyl]-1H-indol-5-ol;hydrobromide
CID 171764243
N,N-dimethyl-2-(2,3,4,5,6-pentafluorophenyl)ethanamine
CID 101404764
2-[2-(4-fluoro-1H-indol-3-yl)ethyl-methylamino]ethanol
CID 169001095
[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl] 2-aminoacetate
CID 162733971

Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)ethyl]-5,6,7-trifluoro-1H-indol-4-ol?
The IUPAC name of 3-[2-(dimethylamino)ethyl]-5,6,7-trifluoro-1H-indol-4-ol (CID 164763881) is 3-[2-(dimethylamino)ethyl]-5,6,7-trifluoro-1H-indol-4-ol.
What is the SMILES notation for 3-[2-(dimethylamino)ethyl]-5,6,7-trifluoro-1H-indol-4-ol?
The canonical SMILES for 3-[2-(dimethylamino)ethyl]-5,6,7-trifluoro-1H-indol-4-ol is CN(C)CCc1c[nH]c2c(F)c(F)c(F)c(O)c12.
What is the InChIKey of 3-[2-(dimethylamino)ethyl]-5,6,7-trifluoro-1H-indol-4-ol?
The InChIKey is JAIRYJYYUKJHAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2O/c1-17(2)4-3-6-5-16-11-7(6)12(18)10(15)8(13)9(11)14/h5,16,18H,3-4H2,1-2H3.
What are the key properties of 3-[2-(dimethylamino)ethyl]-5,6,7-trifluoro-1H-indol-4-ol?
3-[2-(dimethylamino)ethyl]-5,6,7-trifluoro-1H-indol-4-ol has a molecular weight of 258.24 g/mol, XLogP of 2.39, 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]-5,6,7-trifluoro-1H-indol-4-ol is sourced from PubChem (CID 164763881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).