2-(methoxymethyl)-N,1-dimethyl-N-(3,4,5-trimethoxyphenyl)indol-5-amine

C21H26N2O4 — CID 166628110

IUPAC2-(methoxymethyl)-N,1-dimethyl-N-(3,4,5-trimethoxyphenyl)indol-5-amine
SMILESCOCc1cc2cc(N(C)c3cc(OC)c(OC)c(OC)c3)ccc2n1C
InChIInChI=1S/C21H26N2O4/c1-22(16-11-19(25-4)21(27-6)20(12-16)26-5)15-7-8-18-14(9-15)10-17(13-24-3)23(18)2/h7-12H,13H2,1-6H3
InChIKeyCKFPLBKGXOHIFN-UHFFFAOYSA-N
MW370.45 g/mol
LogP4.12
Rot. Bonds7

About 2-(methoxymethyl)-N,1-dimethyl-N-(3,4,5-trimethoxyphenyl)indol-5-amine

2-(methoxymethyl)-N,1-dimethyl-N-(3,4,5-trimethoxyphenyl)indol-5-amine (PubChem CID 166628110) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is 2-(methoxymethyl)-N,1-dimethyl-N-(3,4,5-trimethoxyphenyl)indol-5-amine.

Molecular Properties

Compound Name2-(methoxymethyl)-N,1-dimethyl-N-(3,4,5-trimethoxyphenyl)indol-5-amine
PubChem CID166628110
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC Name2-(methoxymethyl)-N,1-dimethyl-N-(3,4,5-trimethoxyphenyl)indol-5-amine
SMILESCOCc1cc2cc(N(C)c3cc(OC)c(OC)c(OC)c3)ccc2n1C
InChIInChI=1S/C21H26N2O4/c1-22(16-11-19(25-4)21(27-6)20(12-16)26-5)15-7-8-18-14(9-15)10-17(13-24-3)23(18)2/h7-12H,13H2,1-6H3
InChIKeyCKFPLBKGXOHIFN-UHFFFAOYSA-N
XLogP4.12
TPSA45.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[1-Ethyl-5-[1-(3,4,5-trimethoxyphenyl)ethenyl]indol-2-yl]methanol
CID 166629762
6-(4,5,6-Trimethoxyindol-1-yl)quinoline
CID 54576097
4,5,6-Trimethoxy-1-(4-methoxyphenyl)indole
CID 54768148
5-Methoxy-2-(4,5,6-trimethoxyindol-1-yl)aniline
CID 54768149
2-Methoxy-5-(4,5,6-trimethoxyindol-1-yl)phenol
CID 54768181
N,N-dimethyl-4-(4,5,6-trimethoxyindol-1-yl)aniline
CID 54768182
4,5,6-Trimethoxy-1-(1-methylindol-5-yl)indole
CID 54768184
N,1-dimethyl-N-(3,4,5-trimethoxyphenyl)indol-5-amine
CID 68331953
N,2-dimethyl-N-(3,4,5-trimethoxyphenyl)quinolin-4-amine
CID 155671687
2-(4-Methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)pyrrole
CID 162662989
2-(4-Ethoxyphenyl)-1-(3,4,5-trimethoxyphenyl)pyrrole
CID 162664976
2-(1-Methylindol-6-yl)-5-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,3-oxazole
CID 44361475

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-N,1-dimethyl-N-(3,4,5-trimethoxyphenyl)indol-5-amine?
The IUPAC name of 2-(methoxymethyl)-N,1-dimethyl-N-(3,4,5-trimethoxyphenyl)indol-5-amine (CID 166628110) is 2-(methoxymethyl)-N,1-dimethyl-N-(3,4,5-trimethoxyphenyl)indol-5-amine.
What is the SMILES notation for 2-(methoxymethyl)-N,1-dimethyl-N-(3,4,5-trimethoxyphenyl)indol-5-amine?
The canonical SMILES for 2-(methoxymethyl)-N,1-dimethyl-N-(3,4,5-trimethoxyphenyl)indol-5-amine is COCc1cc2cc(N(C)c3cc(OC)c(OC)c(OC)c3)ccc2n1C.
What is the InChIKey of 2-(methoxymethyl)-N,1-dimethyl-N-(3,4,5-trimethoxyphenyl)indol-5-amine?
The InChIKey is CKFPLBKGXOHIFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4/c1-22(16-11-19(25-4)21(27-6)20(12-16)26-5)15-7-8-18-14(9-15)10-17(13-24-3)23(18)2/h7-12H,13H2,1-6H3.
What are the key properties of 2-(methoxymethyl)-N,1-dimethyl-N-(3,4,5-trimethoxyphenyl)indol-5-amine?
2-(methoxymethyl)-N,1-dimethyl-N-(3,4,5-trimethoxyphenyl)indol-5-amine has a molecular weight of 370.45 g/mol, XLogP of 4.12, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-N,1-dimethyl-N-(3,4,5-trimethoxyphenyl)indol-5-amine is sourced from PubChem (CID 166628110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).