2-(5,7-dimethoxy-2,3-dimethylindol-1-yl)ethanamine

C14H20N2O2 — CID 82498803

IUPAC2-(5,7-dimethoxy-2,3-dimethylindol-1-yl)ethanamine
SMILESCOc1cc(OC)c2c(c1)c(C)c(C)n2CCN
InChIInChI=1S/C14H20N2O2/c1-9-10(2)16(6-5-15)14-12(9)7-11(17-3)8-13(14)18-4/h7-8H,5-6,15H2,1-4H3
InChIKeyROGINJXKEJMIHE-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.23
Rot. Bonds4

About 2-(5,7-dimethoxy-2,3-dimethylindol-1-yl)ethanamine

2-(5,7-dimethoxy-2,3-dimethylindol-1-yl)ethanamine (PubChem CID 82498803) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-(5,7-dimethoxy-2,3-dimethylindol-1-yl)ethanamine.

Molecular Properties

Compound Name2-(5,7-dimethoxy-2,3-dimethylindol-1-yl)ethanamine
PubChem CID82498803
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name2-(5,7-dimethoxy-2,3-dimethylindol-1-yl)ethanamine
SMILESCOc1cc(OC)c2c(c1)c(C)c(C)n2CCN
InChIInChI=1S/C14H20N2O2/c1-9-10(2)16(6-5-15)14-12(9)7-11(17-3)8-13(14)18-4/h7-8H,5-6,15H2,1-4H3
InChIKeyROGINJXKEJMIHE-UHFFFAOYSA-N
XLogP2.23
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(5,7-dimethoxy-1,2-dimethylindol-3-yl)propan-1-amine
CID 82501140
5,7-dimethoxy-3-methyl-1-prop-2-enylindole-2-carboxylic acid
CID 83969493
2-(5,7-dimethoxyindol-1-yl)ethanamine
CID 82494071
2-(2,3,7-trimethylindol-1-yl)ethanamine
CID 82491683
2-(4-fluoro-7-methoxy-2-methylindol-1-yl)ethanamine
CID 135333176
5,7-dimethoxy-3-methyl-1-prop-2-ynylindole-2-carboxylic acid
CID 83969503
methyl 5,7-dimethoxy-1,3-dimethylindole-2-carboxylate
CID 15395202
2-(4-methoxy-2,7-dimethylindol-1-yl)ethanamine
CID 135333368
[1-(5,7-dimethoxy-1-methylindol-3-yl)cyclopropyl]methanamine
CID 82500584
3-(6-chloro-5-methoxy-2,3-dimethylindol-1-yl)propan-1-amine
CID 82501761
1-(5,7-dimethoxy-1,2-dimethylindol-3-yl)propan-2-one
CID 82500836
2-(5,7-dimethoxy-1,2,3,4-tetrahydrocarbazol-9-yl)ethanamine
CID 96680178

Frequently Asked Questions

What is the IUPAC name of 2-(5,7-dimethoxy-2,3-dimethylindol-1-yl)ethanamine?
The IUPAC name of 2-(5,7-dimethoxy-2,3-dimethylindol-1-yl)ethanamine (CID 82498803) is 2-(5,7-dimethoxy-2,3-dimethylindol-1-yl)ethanamine.
What is the SMILES notation for 2-(5,7-dimethoxy-2,3-dimethylindol-1-yl)ethanamine?
The canonical SMILES for 2-(5,7-dimethoxy-2,3-dimethylindol-1-yl)ethanamine is COc1cc(OC)c2c(c1)c(C)c(C)n2CCN.
What is the InChIKey of 2-(5,7-dimethoxy-2,3-dimethylindol-1-yl)ethanamine?
The InChIKey is ROGINJXKEJMIHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-9-10(2)16(6-5-15)14-12(9)7-11(17-3)8-13(14)18-4/h7-8H,5-6,15H2,1-4H3.
What are the key properties of 2-(5,7-dimethoxy-2,3-dimethylindol-1-yl)ethanamine?
2-(5,7-dimethoxy-2,3-dimethylindol-1-yl)ethanamine has a molecular weight of 248.33 g/mol, XLogP of 2.23, 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-2,3-dimethylindol-1-yl)ethanamine is sourced from PubChem (CID 82498803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).