2-(5,7-dimethoxy-1-methylindol-6-yl)ethanamine

C13H18N2O2 — CID 96590371

IUPAC2-(5,7-dimethoxy-1-methylindol-6-yl)ethanamine
SMILESCOc1cc2ccn(C)c2c(OC)c1CCN
InChIInChI=1S/C13H18N2O2/c1-15-7-5-9-8-11(16-2)10(4-6-14)13(17-3)12(9)15/h5,7-8H,4,6,14H2,1-3H3
InChIKeyHTCNKKUGTQQFJT-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.70
Rot. Bonds4

About 2-(5,7-dimethoxy-1-methylindol-6-yl)ethanamine

2-(5,7-dimethoxy-1-methylindol-6-yl)ethanamine (PubChem CID 96590371) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-(5,7-dimethoxy-1-methylindol-6-yl)ethanamine.

Molecular Properties

Compound Name2-(5,7-dimethoxy-1-methylindol-6-yl)ethanamine
PubChem CID96590371
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name2-(5,7-dimethoxy-1-methylindol-6-yl)ethanamine
SMILESCOc1cc2ccn(C)c2c(OC)c1CCN
InChIInChI=1S/C13H18N2O2/c1-15-7-5-9-8-11(16-2)10(4-6-14)13(17-3)12(9)15/h5,7-8H,4,6,14H2,1-3H3
InChIKeyHTCNKKUGTQQFJT-UHFFFAOYSA-N
XLogP1.70
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Related Compounds

5,6,7-trimethoxy-1-methylindole
CID 141308126
2-(2,7-dimethoxynaphthalen-1-yl)ethanamine
CID 10399005
7-methoxy-1-methylindol-6-ol
CID 102254676
2-(5,7-dimethoxyindol-1-yl)ethanamine
CID 82494071
2-(3,5-difluoro-2,6-dimethoxyphenyl)ethanamine
CID 117309017
2-(5,6-dimethoxy-1,2-dimethylindol-3-yl)ethanamine
CID 82498772
ethane;6-fluoro-5-methoxy-1-methylindole
CID 144622311
4-(5,7-dimethoxyindol-1-yl)butan-1-amine
CID 83968623
2-(6,7-dimethoxy-8-methylnaphthalen-2-yl)ethanamine
CID 12849306
2-(6-methoxy-2-methylquinolin-5-yl)ethanamine
CID 82575506
2-(5-chloro-2,3-dimethoxy-6-methylphenyl)ethanamine
CID 84693141
O-[2-(5-methoxy-1-methylindol-4-yl)ethyl]hydroxylamine
CID 117314453

Frequently Asked Questions

What is the IUPAC name of 2-(5,7-dimethoxy-1-methylindol-6-yl)ethanamine?
The IUPAC name of 2-(5,7-dimethoxy-1-methylindol-6-yl)ethanamine (CID 96590371) is 2-(5,7-dimethoxy-1-methylindol-6-yl)ethanamine.
What is the SMILES notation for 2-(5,7-dimethoxy-1-methylindol-6-yl)ethanamine?
The canonical SMILES for 2-(5,7-dimethoxy-1-methylindol-6-yl)ethanamine is COc1cc2ccn(C)c2c(OC)c1CCN.
What is the InChIKey of 2-(5,7-dimethoxy-1-methylindol-6-yl)ethanamine?
The InChIKey is HTCNKKUGTQQFJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-15-7-5-9-8-11(16-2)10(4-6-14)13(17-3)12(9)15/h5,7-8H,4,6,14H2,1-3H3.
What are the key properties of 2-(5,7-dimethoxy-1-methylindol-6-yl)ethanamine?
2-(5,7-dimethoxy-1-methylindol-6-yl)ethanamine has a molecular weight of 234.30 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,7-dimethoxy-1-methylindol-6-yl)ethanamine is sourced from PubChem (CID 96590371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).