1-(5-ethoxy-1,3-dimethylindol-2-yl)-N-methylethanamine

C15H22N2O — CID 84632447

IUPAC1-(5-ethoxy-1,3-dimethylindol-2-yl)-N-methylethanamine
SMILESCCOc1ccc2c(c1)c(C)c(C(C)NC)n2C
InChIInChI=1S/C15H22N2O/c1-6-18-12-7-8-14-13(9-12)10(2)15(17(14)5)11(3)16-4/h7-9,11,16H,6H2,1-5H3
InChIKeyZRAOFPBAKDVZCG-UHFFFAOYSA-N
MW246.35 g/mol
LogP3.17
Rot. Bonds4

About 1-(5-ethoxy-1,3-dimethylindol-2-yl)-N-methylethanamine

1-(5-ethoxy-1,3-dimethylindol-2-yl)-N-methylethanamine (PubChem CID 84632447) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 1-(5-ethoxy-1,3-dimethylindol-2-yl)-N-methylethanamine.

Molecular Properties

Compound Name1-(5-ethoxy-1,3-dimethylindol-2-yl)-N-methylethanamine
PubChem CID84632447
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name1-(5-ethoxy-1,3-dimethylindol-2-yl)-N-methylethanamine
SMILESCCOc1ccc2c(c1)c(C)c(C(C)NC)n2C
InChIInChI=1S/C15H22N2O/c1-6-18-12-7-8-14-13(9-12)10(2)15(17(14)5)11(3)16-4/h7-9,11,16H,6H2,1-5H3
InChIKeyZRAOFPBAKDVZCG-UHFFFAOYSA-N
XLogP3.17
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

2-(5-ethoxy-1,2-dimethylindol-3-yl)acetonitrile
CID 82494814
methyl 3-acetamido-5-ethoxy-1-methylindole-2-carboxylate
CID 4777687
N-methyl-3-[9-methyl-6-[3-(methylamino)propoxy]carbazol-3-yl]oxypropan-1-amine
CID 57439519
2-chloro-5-ethoxy-1-methylindole-3-carbaldehyde
CID 82268916
5-ethoxy-1-ethyl-3-methyl-N-(3-propan-2-yloxypropyl)indole-2-carboxamide
CID 110497818
(E)-3-(5-ethoxy-1,2-dimethylindol-3-yl)prop-2-enoic acid
CID 82500275
3-(5-ethoxy-1-methylindol-3-yl)-N-methylpropan-1-amine
CID 98784252
2,7-bis[2-(ethylamino)ethoxy]-10-methylacridin-9-one
CID 57439698
2-[(5-ethoxy-1-ethyl-3-methylindole-2-carbonyl)amino]-3-hydroxybutanoic acid
CID 110497830
(2S)-1-(5,6-dimethylpyrido[4,3-b]carbazol-9-yl)oxy-N-methylpropan-2-amine
CID 162754821
6-ethoxy-3-methyl-1H-benzimidazole-2-thione
CID 760266
2-[(5-ethoxy-1-ethyl-3-methylindole-2-carbonyl)amino]-4-methylpentanoic acid
CID 110497825

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethoxy-1,3-dimethylindol-2-yl)-N-methylethanamine?
The IUPAC name of 1-(5-ethoxy-1,3-dimethylindol-2-yl)-N-methylethanamine (CID 84632447) is 1-(5-ethoxy-1,3-dimethylindol-2-yl)-N-methylethanamine.
What is the SMILES notation for 1-(5-ethoxy-1,3-dimethylindol-2-yl)-N-methylethanamine?
The canonical SMILES for 1-(5-ethoxy-1,3-dimethylindol-2-yl)-N-methylethanamine is CCOc1ccc2c(c1)c(C)c(C(C)NC)n2C.
What is the InChIKey of 1-(5-ethoxy-1,3-dimethylindol-2-yl)-N-methylethanamine?
The InChIKey is ZRAOFPBAKDVZCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-6-18-12-7-8-14-13(9-12)10(2)15(17(14)5)11(3)16-4/h7-9,11,16H,6H2,1-5H3.
What are the key properties of 1-(5-ethoxy-1,3-dimethylindol-2-yl)-N-methylethanamine?
1-(5-ethoxy-1,3-dimethylindol-2-yl)-N-methylethanamine has a molecular weight of 246.35 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethoxy-1,3-dimethylindol-2-yl)-N-methylethanamine is sourced from PubChem (CID 84632447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).