2-(1,5-dimethylindol-3-yl)ethanamine;hydrochloride

C12H17ClN2 — CID 18933143

IUPAC2-(1,5-dimethylindol-3-yl)ethanamine;hydrochloride
SMILESCc1ccc2c(c1)c(CCN)cn2C.Cl
InChIInChI=1S/C12H16N2.ClH/c1-9-3-4-12-11(7-9)10(5-6-13)8-14(12)2;/h3-4,7-8H,5-6,13H2,1-2H3;1H
InChIKeyHYNOHCJIDZTQLB-UHFFFAOYSA-N
MW224.74 g/mol
LogP2.41
Rot. Bonds2

About 2-(1,5-dimethylindol-3-yl)ethanamine;hydrochloride

2-(1,5-dimethylindol-3-yl)ethanamine;hydrochloride (PubChem CID 18933143) has the molecular formula C12H17ClN2 and a molecular weight of 224.74 g/mol. Its IUPAC name is 2-(1,5-dimethylindol-3-yl)ethanamine;hydrochloride.

Molecular Properties

Compound Name2-(1,5-dimethylindol-3-yl)ethanamine;hydrochloride
PubChem CID18933143
Molecular FormulaC12H17ClN2
Molecular Weight224.74 g/mol
Exact Mass224.11
IUPAC Name2-(1,5-dimethylindol-3-yl)ethanamine;hydrochloride
SMILESCc1ccc2c(c1)c(CCN)cn2C.Cl
InChIInChI=1S/C12H16N2.ClH/c1-9-3-4-12-11(7-9)10(5-6-13)8-14(12)2;/h3-4,7-8H,5-6,13H2,1-2H3;1H
InChIKeyHYNOHCJIDZTQLB-UHFFFAOYSA-N
XLogP2.41
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.74
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1,5-dimethylindol-3-yl)ethanamine;hydrochloride?
The IUPAC name of 2-(1,5-dimethylindol-3-yl)ethanamine;hydrochloride (CID 18933143) is 2-(1,5-dimethylindol-3-yl)ethanamine;hydrochloride.
What is the SMILES notation for 2-(1,5-dimethylindol-3-yl)ethanamine;hydrochloride?
The canonical SMILES for 2-(1,5-dimethylindol-3-yl)ethanamine;hydrochloride is Cc1ccc2c(c1)c(CCN)cn2C.Cl.
What is the InChIKey of 2-(1,5-dimethylindol-3-yl)ethanamine;hydrochloride?
The InChIKey is HYNOHCJIDZTQLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2.ClH/c1-9-3-4-12-11(7-9)10(5-6-13)8-14(12)2;/h3-4,7-8H,5-6,13H2,1-2H3;1H.
What are the key properties of 2-(1,5-dimethylindol-3-yl)ethanamine;hydrochloride?
2-(1,5-dimethylindol-3-yl)ethanamine;hydrochloride has a molecular weight of 224.74 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,5-dimethylindol-3-yl)ethanamine;hydrochloride is sourced from PubChem (CID 18933143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).