1-[1-(2-aminoethyl)-6,7-dichloroindol-3-yl]ethanol

C12H14Cl2N2O — CID 83944817

IUPAC1-[1-(2-aminoethyl)-6,7-dichloroindol-3-yl]ethanol
SMILESCC(O)c1cn(CCN)c2c(Cl)c(Cl)ccc12
InChIInChI=1S/C12H14Cl2N2O/c1-7(17)9-6-16(5-4-15)12-8(9)2-3-10(13)11(12)14/h2-3,6-7,17H,4-5,15H2,1H3
InChIKeyQMCFJDGNYSGUDL-UHFFFAOYSA-N
MW273.16 g/mol
LogP2.96
Rot. Bonds3

About 1-[1-(2-aminoethyl)-6,7-dichloroindol-3-yl]ethanol

1-[1-(2-aminoethyl)-6,7-dichloroindol-3-yl]ethanol (PubChem CID 83944817) has the molecular formula C12H14Cl2N2O and a molecular weight of 273.16 g/mol. Its IUPAC name is 1-[1-(2-aminoethyl)-6,7-dichloroindol-3-yl]ethanol.

Molecular Properties

Compound Name1-[1-(2-aminoethyl)-6,7-dichloroindol-3-yl]ethanol
PubChem CID83944817
Molecular FormulaC12H14Cl2N2O
Molecular Weight273.16 g/mol
Exact Mass272.05
IUPAC Name1-[1-(2-aminoethyl)-6,7-dichloroindol-3-yl]ethanol
SMILESCC(O)c1cn(CCN)c2c(Cl)c(Cl)ccc12
InChIInChI=1S/C12H14Cl2N2O/c1-7(17)9-6-16(5-4-15)12-8(9)2-3-10(13)11(12)14/h2-3,6-7,17H,4-5,15H2,1H3
InChIKeyQMCFJDGNYSGUDL-UHFFFAOYSA-N
XLogP2.96
TPSA51.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.16
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(6,7-dichloro-3-methylindol-1-yl)ethanamine
CID 83948496
2-[1-(2-aminoethyl)-6,7-dichloroindol-3-yl]ethanamine
CID 83948501
1-(2-aminoethyl)-3-(1-hydroxyethyl)-6-methylindole-7-carboxylic acid
CID 83946424
1-(3-aminopropyl)-3-(1-hydroxyethyl)indole-7-carboxylic acid
CID 83945440
1-(2-aminoethyl)-3-(1-hydroxyethyl)-7-methylindole-5-carboxylic acid
CID 83946012
(6,7-dichloro-1,3-dimethylindol-2-yl)methanamine
CID 83868326
1-[1-(2-aminoethyl)-5-tert-butylindol-3-yl]ethanol
CID 83945111
1-(1-butyl-6-chloroindol-3-yl)ethanol
CID 83945241
3-(6,7-dichloro-3-methylindol-1-yl)propan-1-ol
CID 83944807
2-(6,7-dichloroindol-1-yl)ethanamine
CID 83948495
1-[1-(3-aminopropyl)-4,7-dimethylindol-3-yl]ethanol
CID 83944930
2-[1-(2-aminoethyl)-6-chloro-7-methylindol-3-yl]ethanamine
CID 83948657

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-aminoethyl)-6,7-dichloroindol-3-yl]ethanol?
The IUPAC name of 1-[1-(2-aminoethyl)-6,7-dichloroindol-3-yl]ethanol (CID 83944817) is 1-[1-(2-aminoethyl)-6,7-dichloroindol-3-yl]ethanol.
What is the SMILES notation for 1-[1-(2-aminoethyl)-6,7-dichloroindol-3-yl]ethanol?
The canonical SMILES for 1-[1-(2-aminoethyl)-6,7-dichloroindol-3-yl]ethanol is CC(O)c1cn(CCN)c2c(Cl)c(Cl)ccc12.
What is the InChIKey of 1-[1-(2-aminoethyl)-6,7-dichloroindol-3-yl]ethanol?
The InChIKey is QMCFJDGNYSGUDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2N2O/c1-7(17)9-6-16(5-4-15)12-8(9)2-3-10(13)11(12)14/h2-3,6-7,17H,4-5,15H2,1H3.
What are the key properties of 1-[1-(2-aminoethyl)-6,7-dichloroindol-3-yl]ethanol?
1-[1-(2-aminoethyl)-6,7-dichloroindol-3-yl]ethanol has a molecular weight of 273.16 g/mol, XLogP of 2.96, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-aminoethyl)-6,7-dichloroindol-3-yl]ethanol is sourced from PubChem (CID 83944817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).