2-(4,6-dimethoxy-3-methyl-1H-indol-2-yl)ethanamine

C13H18N2O2 — CID 82496387

IUPAC2-(4,6-dimethoxy-3-methyl-1H-indol-2-yl)ethanamine
SMILESCOc1cc(OC)c2c(C)c(CCN)[nH]c2c1
InChIInChI=1S/C13H18N2O2/c1-8-10(4-5-14)15-11-6-9(16-2)7-12(17-3)13(8)11/h6-7,15H,4-5,14H2,1-3H3
InChIKeyWKNJSFKZJFYEIF-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.99
Rot. Bonds4

About 2-(4,6-dimethoxy-3-methyl-1H-indol-2-yl)ethanamine

2-(4,6-dimethoxy-3-methyl-1H-indol-2-yl)ethanamine (PubChem CID 82496387) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-(4,6-dimethoxy-3-methyl-1H-indol-2-yl)ethanamine.

Molecular Properties

Compound Name2-(4,6-dimethoxy-3-methyl-1H-indol-2-yl)ethanamine
PubChem CID82496387
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name2-(4,6-dimethoxy-3-methyl-1H-indol-2-yl)ethanamine
SMILESCOc1cc(OC)c2c(C)c(CCN)[nH]c2c1
InChIInChI=1S/C13H18N2O2/c1-8-10(4-5-14)15-11-6-9(16-2)7-12(17-3)13(8)11/h6-7,15H,4-5,14H2,1-3H3
InChIKeyWKNJSFKZJFYEIF-UHFFFAOYSA-N
XLogP1.99
TPSA60.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4,6-dimethoxy-3-methyl-1H-indol-2-yl)propanoic acid
CID 82501292
6,12-bis(4-chlorophenyl)-1,3,7,9-tetramethoxy-5,6,11,12-tetrahydroindolo[3,2-b]carbazole
CID 11966455
2-(3-bromo-5-methoxy-1H-indol-2-yl)ethanamine
CID 84641076
1,3,8,9-tetramethoxy-5H-phenanthridin-6-one
CID 12803228
2-(5-methoxy-2,4-dimethyl-1H-indol-3-yl)ethanamine
CID 82393219
3-(2-chloro-4,6-dimethoxyphenyl)propan-1-amine
CID 117331589
2-(3-fluoro-5-methoxy-2-methylphenyl)ethanamine
CID 130066698
ethyl 4-(3,5,7-trimethoxy-4-oxo-1H-quinolin-2-yl)benzoate
CID 10833824
3-(aminomethyl)-5,7-dimethoxy-1,4-dimethylquinolin-2-one
CID 84638829
1-fluoro-3,5-dimethoxy-2-methylbenzene
CID 22970635
2-[4-(2,4-dimethoxyphenyl)-1H-imidazol-5-yl]ethanamine
CID 39101589
3-aminopropyl-tris(2,4,6-trimethoxyphenyl)phosphanium
CID 71361775

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethoxy-3-methyl-1H-indol-2-yl)ethanamine?
The IUPAC name of 2-(4,6-dimethoxy-3-methyl-1H-indol-2-yl)ethanamine (CID 82496387) is 2-(4,6-dimethoxy-3-methyl-1H-indol-2-yl)ethanamine.
What is the SMILES notation for 2-(4,6-dimethoxy-3-methyl-1H-indol-2-yl)ethanamine?
The canonical SMILES for 2-(4,6-dimethoxy-3-methyl-1H-indol-2-yl)ethanamine is COc1cc(OC)c2c(C)c(CCN)[nH]c2c1.
What is the InChIKey of 2-(4,6-dimethoxy-3-methyl-1H-indol-2-yl)ethanamine?
The InChIKey is WKNJSFKZJFYEIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-8-10(4-5-14)15-11-6-9(16-2)7-12(17-3)13(8)11/h6-7,15H,4-5,14H2,1-3H3.
What are the key properties of 2-(4,6-dimethoxy-3-methyl-1H-indol-2-yl)ethanamine?
2-(4,6-dimethoxy-3-methyl-1H-indol-2-yl)ethanamine has a molecular weight of 234.30 g/mol, XLogP of 1.99, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethoxy-3-methyl-1H-indol-2-yl)ethanamine is sourced from PubChem (CID 82496387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).