ethyl 6-[(dimethylamino)methyl]-5-hydroxy-2-methyl-1H-indole-3-carboxylate;hydrochloride

C15H21ClN2O3 — CID 134108985

IUPACethyl 6-[(dimethylamino)methyl]-5-hydroxy-2-methyl-1H-indole-3-carboxylate;hydrochloride
SMILESCCOC(=O)c1c(C)[nH]c2cc(CN(C)C)c(O)cc12.Cl
InChIInChI=1S/C15H20N2O3.ClH/c1-5-20-15(19)14-9(2)16-12-6-10(8-17(3)4)13(18)7-11(12)14;/h6-7,16,18H,5,8H2,1-4H3;1H
InChIKeyFTQJJCFVVZZZPC-UHFFFAOYSA-N
MW312.80 g/mol
LogP2.84
Rot. Bonds4

About ethyl 6-[(dimethylamino)methyl]-5-hydroxy-2-methyl-1H-indole-3-carboxylate;hydrochloride

ethyl 6-[(dimethylamino)methyl]-5-hydroxy-2-methyl-1H-indole-3-carboxylate;hydrochloride (PubChem CID 134108985) has the molecular formula C15H21ClN2O3 and a molecular weight of 312.80 g/mol. Its IUPAC name is ethyl 6-[(dimethylamino)methyl]-5-hydroxy-2-methyl-1H-indole-3-carboxylate;hydrochloride.

Molecular Properties

Compound Nameethyl 6-[(dimethylamino)methyl]-5-hydroxy-2-methyl-1H-indole-3-carboxylate;hydrochloride
PubChem CID134108985
Molecular FormulaC15H21ClN2O3
Molecular Weight312.80 g/mol
Exact Mass312.12
IUPAC Nameethyl 6-[(dimethylamino)methyl]-5-hydroxy-2-methyl-1H-indole-3-carboxylate;hydrochloride
SMILESCCOC(=O)c1c(C)[nH]c2cc(CN(C)C)c(O)cc12.Cl
InChIInChI=1S/C15H20N2O3.ClH/c1-5-20-15(19)14-9(2)16-12-6-10(8-17(3)4)13(18)7-11(12)14;/h6-7,16,18H,5,8H2,1-4H3;1H
InChIKeyFTQJJCFVVZZZPC-UHFFFAOYSA-N
XLogP2.84
TPSA65.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

ethyl 4,6-bis[(dimethylamino)methyl]-5-hydroxy-2-methyl-1H-indole-3-carboxylate;dihydrochloride
CID 13181226
ethyl 5-(dimethylamino)-2-methyl-1H-indole-3-carboxylate
CID 12537598
ethyl 4-[(dimethylamino)methyl]-5-hydroxy-6-methoxy-2-methyl-1H-indole-3-carboxylate;hydrochloride
CID 134117987
(4-fluorophenyl)methyl 4-[(dimethylamino)methyl]-5-hydroxy-2-methyl-1H-indole-3-carboxylate
CID 54079579
ethyl 3-amino-4-[(dimethylamino)methyl]-1H-pyrrole-2-carboxylate;hydrochloride
CID 166516952
ethyl 3-[(dimethylamino)methyl]-5-methyl-1H-indole-2-carboxylate
CID 938498
cyclopropylmethyl 5-hydroxy-2-methyl-1H-indole-3-carboxylate
CID 54453164
ethyl 2-[(dimethylamino)methyl]-5-fluoro-1H-benzimidazole-4-carboxylate
CID 70825420
ethyl 2,6-dimethyl-5-[2-(4-methylpiperazin-1-yl)acetyl]oxy-1H-indole-3-carboxylate
CID 10248770
ethyl 2-methyl-5-(oxane-4-carbonyloxy)-1H-indole-3-carboxylate
CID 71892020
ethyl 3-methyl-1-oxo-2H-isoquinoline-4-carboxylate
CID 12677994
ethyl 2-(3,4-dimethoxyphenyl)-4-[(dimethylamino)methyl]-5-hydroxy-1-benzofuran-3-carboxylate;hydrochloride
CID 24834988

Frequently Asked Questions

What is the IUPAC name of ethyl 6-[(dimethylamino)methyl]-5-hydroxy-2-methyl-1H-indole-3-carboxylate;hydrochloride?
The IUPAC name of ethyl 6-[(dimethylamino)methyl]-5-hydroxy-2-methyl-1H-indole-3-carboxylate;hydrochloride (CID 134108985) is ethyl 6-[(dimethylamino)methyl]-5-hydroxy-2-methyl-1H-indole-3-carboxylate;hydrochloride.
What is the SMILES notation for ethyl 6-[(dimethylamino)methyl]-5-hydroxy-2-methyl-1H-indole-3-carboxylate;hydrochloride?
The canonical SMILES for ethyl 6-[(dimethylamino)methyl]-5-hydroxy-2-methyl-1H-indole-3-carboxylate;hydrochloride is CCOC(=O)c1c(C)[nH]c2cc(CN(C)C)c(O)cc12.Cl.
What is the InChIKey of ethyl 6-[(dimethylamino)methyl]-5-hydroxy-2-methyl-1H-indole-3-carboxylate;hydrochloride?
The InChIKey is FTQJJCFVVZZZPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3.ClH/c1-5-20-15(19)14-9(2)16-12-6-10(8-17(3)4)13(18)7-11(12)14;/h6-7,16,18H,5,8H2,1-4H3;1H.
What are the key properties of ethyl 6-[(dimethylamino)methyl]-5-hydroxy-2-methyl-1H-indole-3-carboxylate;hydrochloride?
ethyl 6-[(dimethylamino)methyl]-5-hydroxy-2-methyl-1H-indole-3-carboxylate;hydrochloride has a molecular weight of 312.80 g/mol, XLogP of 2.84, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[(dimethylamino)methyl]-5-hydroxy-2-methyl-1H-indole-3-carboxylate;hydrochloride is sourced from PubChem (CID 134108985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).