2-(1,2-dimethylindol-3-yl)-2-methoxyethanamine

C13H18N2O — CID 82285579

IUPAC2-(1,2-dimethylindol-3-yl)-2-methoxyethanamine
SMILESCOC(CN)c1c(C)n(C)c2ccccc12
InChIInChI=1S/C13H18N2O/c1-9-13(12(8-14)16-3)10-6-4-5-7-11(10)15(9)2/h4-7,12H,8,14H2,1-3H3
InChIKeyKGVAOGVAWUYJMQ-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.13
Rot. Bonds3

About 2-(1,2-dimethylindol-3-yl)-2-methoxyethanamine

2-(1,2-dimethylindol-3-yl)-2-methoxyethanamine (PubChem CID 82285579) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 2-(1,2-dimethylindol-3-yl)-2-methoxyethanamine.

Molecular Properties

Compound Name2-(1,2-dimethylindol-3-yl)-2-methoxyethanamine
PubChem CID82285579
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name2-(1,2-dimethylindol-3-yl)-2-methoxyethanamine
SMILESCOC(CN)c1c(C)n(C)c2ccccc12
InChIInChI=1S/C13H18N2O/c1-9-13(12(8-14)16-3)10-6-4-5-7-11(10)15(9)2/h4-7,12H,8,14H2,1-3H3
InChIKeyKGVAOGVAWUYJMQ-UHFFFAOYSA-N
XLogP2.13
TPSA40.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.13
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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Frequently Asked Questions

What is the IUPAC name of 2-(1,2-dimethylindol-3-yl)-2-methoxyethanamine?
The IUPAC name of 2-(1,2-dimethylindol-3-yl)-2-methoxyethanamine (CID 82285579) is 2-(1,2-dimethylindol-3-yl)-2-methoxyethanamine.
What is the SMILES notation for 2-(1,2-dimethylindol-3-yl)-2-methoxyethanamine?
The canonical SMILES for 2-(1,2-dimethylindol-3-yl)-2-methoxyethanamine is COC(CN)c1c(C)n(C)c2ccccc12.
What is the InChIKey of 2-(1,2-dimethylindol-3-yl)-2-methoxyethanamine?
The InChIKey is KGVAOGVAWUYJMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-9-13(12(8-14)16-3)10-6-4-5-7-11(10)15(9)2/h4-7,12H,8,14H2,1-3H3.
What are the key properties of 2-(1,2-dimethylindol-3-yl)-2-methoxyethanamine?
2-(1,2-dimethylindol-3-yl)-2-methoxyethanamine has a molecular weight of 218.30 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-dimethylindol-3-yl)-2-methoxyethanamine is sourced from PubChem (CID 82285579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).