2-[3-(3,4-dimethoxyphenyl)-5,6-dimethoxy-1-methylindol-2-yl]ethanamine

C21H26N2O4 — CID 22072767

IUPAC2-[3-(3,4-dimethoxyphenyl)-5,6-dimethoxy-1-methylindol-2-yl]ethanamine
SMILESCOc1ccc(-c2c(CCN)n(C)c3cc(OC)c(OC)cc23)cc1OC
InChIInChI=1S/C21H26N2O4/c1-23-15(8-9-22)21(13-6-7-17(24-2)18(10-13)25-3)14-11-19(26-4)20(27-5)12-16(14)23/h6-7,10-12H,8-9,22H2,1-5H3
InChIKeyXAJUTUUXSCGCSL-UHFFFAOYSA-N
MW370.45 g/mol
LogP3.38
Rot. Bonds7

About 2-[3-(3,4-dimethoxyphenyl)-5,6-dimethoxy-1-methylindol-2-yl]ethanamine

2-[3-(3,4-dimethoxyphenyl)-5,6-dimethoxy-1-methylindol-2-yl]ethanamine (PubChem CID 22072767) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is 2-[3-(3,4-dimethoxyphenyl)-5,6-dimethoxy-1-methylindol-2-yl]ethanamine.

Molecular Properties

Compound Name2-[3-(3,4-dimethoxyphenyl)-5,6-dimethoxy-1-methylindol-2-yl]ethanamine
PubChem CID22072767
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC Name2-[3-(3,4-dimethoxyphenyl)-5,6-dimethoxy-1-methylindol-2-yl]ethanamine
SMILESCOc1ccc(-c2c(CCN)n(C)c3cc(OC)c(OC)cc23)cc1OC
InChIInChI=1S/C21H26N2O4/c1-23-15(8-9-22)21(13-6-7-17(24-2)18(10-13)25-3)14-11-19(26-4)20(27-5)12-16(14)23/h6-7,10-12H,8-9,22H2,1-5H3
InChIKeyXAJUTUUXSCGCSL-UHFFFAOYSA-N
XLogP3.38
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(5,6-dimethoxy-1,2-dimethylindol-3-yl)ethanamine
CID 82498772
[5-(3,4-dimethoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]methanamine
CID 82131112
2-(3,4-dimethoxyphenyl)ethanamine;hydroiodide
CID 46741035
[4-(3,4-dimethoxyphenyl)-3-fluorophenyl]methanamine
CID 81446939
3-(3,4-dimethoxyphenyl)-8-methoxy-5-methylpyrido[4,3-b]indole
CID 155804063
2-[1-(3,4-dimethoxyphenyl)pyrrol-2-yl]ethanamine
CID 95457458
3-[2-(3,4-dimethoxyphenyl)phenyl]propan-1-amine
CID 69397139
3-[1-(3-aminopropyl)-5,6-dimethoxyindol-3-yl]propan-1-amine
CID 83948403
5,6-dimethoxy-1,2,3-trimethylindole
CID 21049658
4-[5-(3,4-dimethoxyphenyl)tetrazol-1-yl]butan-1-amine
CID 84758956
5-(3,4-dimethoxyphenyl)-3-methyl-2-propylimidazol-4-amine
CID 62220657
9,10-bis(4-chlorophenyl)-2,3,6,7-tetramethoxyanthracene
CID 56602037

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3,4-dimethoxyphenyl)-5,6-dimethoxy-1-methylindol-2-yl]ethanamine?
The IUPAC name of 2-[3-(3,4-dimethoxyphenyl)-5,6-dimethoxy-1-methylindol-2-yl]ethanamine (CID 22072767) is 2-[3-(3,4-dimethoxyphenyl)-5,6-dimethoxy-1-methylindol-2-yl]ethanamine.
What is the SMILES notation for 2-[3-(3,4-dimethoxyphenyl)-5,6-dimethoxy-1-methylindol-2-yl]ethanamine?
The canonical SMILES for 2-[3-(3,4-dimethoxyphenyl)-5,6-dimethoxy-1-methylindol-2-yl]ethanamine is COc1ccc(-c2c(CCN)n(C)c3cc(OC)c(OC)cc23)cc1OC.
What is the InChIKey of 2-[3-(3,4-dimethoxyphenyl)-5,6-dimethoxy-1-methylindol-2-yl]ethanamine?
The InChIKey is XAJUTUUXSCGCSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4/c1-23-15(8-9-22)21(13-6-7-17(24-2)18(10-13)25-3)14-11-19(26-4)20(27-5)12-16(14)23/h6-7,10-12H,8-9,22H2,1-5H3.
What are the key properties of 2-[3-(3,4-dimethoxyphenyl)-5,6-dimethoxy-1-methylindol-2-yl]ethanamine?
2-[3-(3,4-dimethoxyphenyl)-5,6-dimethoxy-1-methylindol-2-yl]ethanamine has a molecular weight of 370.45 g/mol, XLogP of 3.38, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3,4-dimethoxyphenyl)-5,6-dimethoxy-1-methylindol-2-yl]ethanamine is sourced from PubChem (CID 22072767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).