ethyl 1-[2-(diethylamino)ethyl]indole-2-carboxylate;hydrochloride

C17H25ClN2O2 — CID 2975215

IUPACethyl 1-[2-(diethylamino)ethyl]indole-2-carboxylate;hydrochloride
SMILESCCOC(=O)c1cc2ccccc2n1CCN(CC)CC.Cl
InChIInChI=1S/C17H24N2O2.ClH/c1-4-18(5-2)11-12-19-15-10-8-7-9-14(15)13-16(19)17(20)21-6-3;/h7-10,13H,4-6,11-12H2,1-3H3;1H
InChIKeyWVGYVRMDEVCROI-UHFFFAOYSA-N
MW324.85 g/mol
LogP3.58
Rot. Bonds7

About ethyl 1-[2-(diethylamino)ethyl]indole-2-carboxylate;hydrochloride

ethyl 1-[2-(diethylamino)ethyl]indole-2-carboxylate;hydrochloride (PubChem CID 2975215) has the molecular formula C17H25ClN2O2 and a molecular weight of 324.85 g/mol. Its IUPAC name is ethyl 1-[2-(diethylamino)ethyl]indole-2-carboxylate;hydrochloride.

Molecular Properties

Compound Nameethyl 1-[2-(diethylamino)ethyl]indole-2-carboxylate;hydrochloride
PubChem CID2975215
Molecular FormulaC17H25ClN2O2
Molecular Weight324.85 g/mol
Exact Mass324.16
IUPAC Nameethyl 1-[2-(diethylamino)ethyl]indole-2-carboxylate;hydrochloride
SMILESCCOC(=O)c1cc2ccccc2n1CCN(CC)CC.Cl
InChIInChI=1S/C17H24N2O2.ClH/c1-4-18(5-2)11-12-19-15-10-8-7-9-14(15)13-16(19)17(20)21-6-3;/h7-10,13H,4-6,11-12H2,1-3H3;1H
InChIKeyWVGYVRMDEVCROI-UHFFFAOYSA-N
XLogP3.58
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.85
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-(diethylamino)ethyl]indole-2-carboxylate;hydrochloride?
The IUPAC name of ethyl 1-[2-(diethylamino)ethyl]indole-2-carboxylate;hydrochloride (CID 2975215) is ethyl 1-[2-(diethylamino)ethyl]indole-2-carboxylate;hydrochloride.
What is the SMILES notation for ethyl 1-[2-(diethylamino)ethyl]indole-2-carboxylate;hydrochloride?
The canonical SMILES for ethyl 1-[2-(diethylamino)ethyl]indole-2-carboxylate;hydrochloride is CCOC(=O)c1cc2ccccc2n1CCN(CC)CC.Cl.
What is the InChIKey of ethyl 1-[2-(diethylamino)ethyl]indole-2-carboxylate;hydrochloride?
The InChIKey is WVGYVRMDEVCROI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2.ClH/c1-4-18(5-2)11-12-19-15-10-8-7-9-14(15)13-16(19)17(20)21-6-3;/h7-10,13H,4-6,11-12H2,1-3H3;1H.
What are the key properties of ethyl 1-[2-(diethylamino)ethyl]indole-2-carboxylate;hydrochloride?
ethyl 1-[2-(diethylamino)ethyl]indole-2-carboxylate;hydrochloride has a molecular weight of 324.85 g/mol, XLogP of 3.58, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-(diethylamino)ethyl]indole-2-carboxylate;hydrochloride is sourced from PubChem (CID 2975215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).