2-(5,6-dimethoxy-1,2-dimethylindol-3-yl)ethanamine

C14H20N2O2 — CID 82498772

IUPAC2-(5,6-dimethoxy-1,2-dimethylindol-3-yl)ethanamine
SMILESCOc1cc2c(CCN)c(C)n(C)c2cc1OC
InChIInChI=1S/C14H20N2O2/c1-9-10(5-6-15)11-7-13(17-3)14(18-4)8-12(11)16(9)2/h7-8H,5-6,15H2,1-4H3
InChIKeyLFMXNNNNVLUBQT-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.01
Rot. Bonds4

About 2-(5,6-dimethoxy-1,2-dimethylindol-3-yl)ethanamine

2-(5,6-dimethoxy-1,2-dimethylindol-3-yl)ethanamine (PubChem CID 82498772) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-(5,6-dimethoxy-1,2-dimethylindol-3-yl)ethanamine.

Molecular Properties

Compound Name2-(5,6-dimethoxy-1,2-dimethylindol-3-yl)ethanamine
PubChem CID82498772
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name2-(5,6-dimethoxy-1,2-dimethylindol-3-yl)ethanamine
SMILESCOc1cc2c(CCN)c(C)n(C)c2cc1OC
InChIInChI=1S/C14H20N2O2/c1-9-10(5-6-15)11-7-13(17-3)14(18-4)8-12(11)16(9)2/h7-8H,5-6,15H2,1-4H3
InChIKeyLFMXNNNNVLUBQT-UHFFFAOYSA-N
XLogP2.01
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 ≤ 52.01
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

5,6-dimethoxy-1,2,3-trimethylindole
CID 21049658
3-(6-methoxy-1,2-dimethylindol-3-yl)propan-1-amine
CID 82495889
2-(4-deuterio-5-methoxy-1,2-dimethylindol-3-yl)ethanamine
CID 156735251
2-(1,2-dimethyl-5-propan-2-yloxyindol-3-yl)ethanamine
CID 82498330
2-[3-(3,4-dimethoxyphenyl)-5,6-dimethoxy-1-methylindol-2-yl]ethanamine
CID 22072767
3-[10-(3-aminopropyl)-2,3,6,7-tetramethoxyanthracen-9-yl]propan-1-amine;dihydrochloride
CID 10390646
3-(1,2,6-trimethylindol-3-yl)propan-1-amine
CID 82493187
ethyl 2-(6-chloro-5-methoxy-1,2-dimethylindol-3-yl)acetate
CID 143225852
3-(7-methoxy-1,2-dimethylindol-3-yl)propan-1-amine
CID 82495855
3-(5-tert-butyl-1,2-dimethylindol-3-yl)propan-1-amine
CID 82500218
3-[1-(3-aminopropyl)-5,6-dimethoxyindol-3-yl]propan-1-amine
CID 83948403
3-butyl-5-methoxy-1,2-dimethylindole
CID 129194050

Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dimethoxy-1,2-dimethylindol-3-yl)ethanamine?
The IUPAC name of 2-(5,6-dimethoxy-1,2-dimethylindol-3-yl)ethanamine (CID 82498772) is 2-(5,6-dimethoxy-1,2-dimethylindol-3-yl)ethanamine.
What is the SMILES notation for 2-(5,6-dimethoxy-1,2-dimethylindol-3-yl)ethanamine?
The canonical SMILES for 2-(5,6-dimethoxy-1,2-dimethylindol-3-yl)ethanamine is COc1cc2c(CCN)c(C)n(C)c2cc1OC.
What is the InChIKey of 2-(5,6-dimethoxy-1,2-dimethylindol-3-yl)ethanamine?
The InChIKey is LFMXNNNNVLUBQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-9-10(5-6-15)11-7-13(17-3)14(18-4)8-12(11)16(9)2/h7-8H,5-6,15H2,1-4H3.
What are the key properties of 2-(5,6-dimethoxy-1,2-dimethylindol-3-yl)ethanamine?
2-(5,6-dimethoxy-1,2-dimethylindol-3-yl)ethanamine has a molecular weight of 248.33 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dimethoxy-1,2-dimethylindol-3-yl)ethanamine is sourced from PubChem (CID 82498772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).