3-[2-(dimethylamino)ethyl]-1H-indol-5-ol;hydrobromide

C12H17BrN2O — CID 171764243

IUPAC3-[2-(dimethylamino)ethyl]-1H-indol-5-ol;hydrobromide
SMILESBr.CN(C)CCc1c[nH]c2ccc(O)cc12
InChIInChI=1S/C12H16N2O.BrH/c1-14(2)6-5-9-8-13-12-4-3-10(15)7-11(9)12;/h3-4,7-8,13,15H,5-6H2,1-2H3;1H
InChIKeyHYYYYKMFSVCULX-UHFFFAOYSA-N
MW285.19 g/mol
LogP2.56
Rot. Bonds3

About 3-[2-(dimethylamino)ethyl]-1H-indol-5-ol;hydrobromide

3-[2-(dimethylamino)ethyl]-1H-indol-5-ol;hydrobromide (PubChem CID 171764243) has the molecular formula C12H17BrN2O and a molecular weight of 285.19 g/mol. Its IUPAC name is 3-[2-(dimethylamino)ethyl]-1H-indol-5-ol;hydrobromide.

Molecular Properties

Compound Name3-[2-(dimethylamino)ethyl]-1H-indol-5-ol;hydrobromide
PubChem CID171764243
Molecular FormulaC12H17BrN2O
Molecular Weight285.19 g/mol
Exact Mass284.05
IUPAC Name3-[2-(dimethylamino)ethyl]-1H-indol-5-ol;hydrobromide
SMILESBr.CN(C)CCc1c[nH]c2ccc(O)cc12
InChIInChI=1S/C12H16N2O.BrH/c1-14(2)6-5-9-8-13-12-4-3-10(15)7-11(9)12;/h3-4,7-8,13,15H,5-6H2,1-2H3;1H
InChIKeyHYYYYKMFSVCULX-UHFFFAOYSA-N
XLogP2.56
TPSA39.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.19
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-propyl-1H-indol-5-ol
CID 15366338
[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methanol
CID 10262849
3-[2-(dimethylamino)ethyl]-1H-indol-5-amine
CID 11820211
3-[(5-hydroxy-1H-indol-3-yl)methyl]-1H-indol-5-ol
CID 15949127
2-[5-(4-fluorophenyl)-1H-indol-3-yl]-N,N-dimethylethanamine
CID 54378350
[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]thiourea
CID 19040763
N,N-dimethyl-2-[5-(trifluoromethylsulfanyl)-1H-indol-3-yl]ethanamine
CID 172578416
[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl] acetate;oxalic acid
CID 90674869
3-(5-hydroxy-1H-indol-3-yl)propanoic acid;hydrochloride
CID 142678890
2-(5-hydroxy-1H-indol-3-yl)ethyl-tripropylazanium;iodide;hydrate
CID 170646984
3-(2-aminoethyl)-1H-indol-5-ol;N,N-dimethyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)propan-1-amine
CID 122442530
3-[2-[2-thiophen-2-ylethyl(thiophen-2-ylmethyl)amino]ethyl]-1H-indol-5-ol
CID 53494540

Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)ethyl]-1H-indol-5-ol;hydrobromide?
The IUPAC name of 3-[2-(dimethylamino)ethyl]-1H-indol-5-ol;hydrobromide (CID 171764243) is 3-[2-(dimethylamino)ethyl]-1H-indol-5-ol;hydrobromide.
What is the SMILES notation for 3-[2-(dimethylamino)ethyl]-1H-indol-5-ol;hydrobromide?
The canonical SMILES for 3-[2-(dimethylamino)ethyl]-1H-indol-5-ol;hydrobromide is Br.CN(C)CCc1c[nH]c2ccc(O)cc12.
What is the InChIKey of 3-[2-(dimethylamino)ethyl]-1H-indol-5-ol;hydrobromide?
The InChIKey is HYYYYKMFSVCULX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O.BrH/c1-14(2)6-5-9-8-13-12-4-3-10(15)7-11(9)12;/h3-4,7-8,13,15H,5-6H2,1-2H3;1H.
What are the key properties of 3-[2-(dimethylamino)ethyl]-1H-indol-5-ol;hydrobromide?
3-[2-(dimethylamino)ethyl]-1H-indol-5-ol;hydrobromide has a molecular weight of 285.19 g/mol, XLogP of 2.56, 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]-1H-indol-5-ol;hydrobromide is sourced from PubChem (CID 171764243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).