2-(5,6-dimethoxy-1-methylindol-3-yl)-N-methylethanamine

C14H20N2O2 — CID 96675794

IUPAC2-(5,6-dimethoxy-1-methylindol-3-yl)-N-methylethanamine
SMILESCNCCc1cn(C)c2cc(OC)c(OC)cc12
InChIInChI=1S/C14H20N2O2/c1-15-6-5-10-9-16(2)12-8-14(18-4)13(17-3)7-11(10)12/h7-9,15H,5-6H2,1-4H3
InChIKeyJKDNLKVVFWSBND-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.96
Rot. Bonds5

About 2-(5,6-dimethoxy-1-methylindol-3-yl)-N-methylethanamine

2-(5,6-dimethoxy-1-methylindol-3-yl)-N-methylethanamine (PubChem CID 96675794) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-(5,6-dimethoxy-1-methylindol-3-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(5,6-dimethoxy-1-methylindol-3-yl)-N-methylethanamine
PubChem CID96675794
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name2-(5,6-dimethoxy-1-methylindol-3-yl)-N-methylethanamine
SMILESCNCCc1cn(C)c2cc(OC)c(OC)cc12
InChIInChI=1S/C14H20N2O2/c1-15-6-5-10-9-16(2)12-8-14(18-4)13(17-3)7-11(10)12/h7-9,15H,5-6H2,1-4H3
InChIKeyJKDNLKVVFWSBND-UHFFFAOYSA-N
XLogP1.96
TPSA35.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4,6-dimethoxy-1-methylindol-3-yl)-N-methylethanamine
CID 96675836
N-ethyl-2-(5-methoxy-1-methylindol-3-yl)ethanamine
CID 96673433
N-methyl-2-[1-methyl-5-(4-methylphenyl)sulfonylindol-3-yl]ethanamine;hydrochloride
CID 18522777
4,5-dimethoxy-2-[2-(methylamino)ethyl]aniline
CID 22439028
2-(2,4-dichloro-5-methoxyphenyl)-N-methylethanamine
CID 83895894
3-[1-(3-aminopropyl)-5,6-dimethoxyindol-3-yl]propan-1-amine
CID 83948403
N-methyl-2-(1,4,6-trimethylindol-3-yl)ethanamine
CID 82493166
2-[1-methyl-3-[2-(methylamino)ethyl]indol-5-yl]ethanesulfonamide
CID 67930893
3-(5-ethoxy-1-methylindol-3-yl)-N-methylpropan-1-amine
CID 98784252
3-(5,6-diethoxy-1-methylindol-3-yl)propan-1-ol
CID 83944719
2,4-dimethoxy-N-[2-(1-methylindol-3-yl)ethyl]benzenesulfonamide
CID 113083949
N-methyl-3-(1-methyl-5-methylsulfonylindol-3-yl)propan-1-amine
CID 83985061

Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dimethoxy-1-methylindol-3-yl)-N-methylethanamine?
The IUPAC name of 2-(5,6-dimethoxy-1-methylindol-3-yl)-N-methylethanamine (CID 96675794) is 2-(5,6-dimethoxy-1-methylindol-3-yl)-N-methylethanamine.
What is the SMILES notation for 2-(5,6-dimethoxy-1-methylindol-3-yl)-N-methylethanamine?
The canonical SMILES for 2-(5,6-dimethoxy-1-methylindol-3-yl)-N-methylethanamine is CNCCc1cn(C)c2cc(OC)c(OC)cc12.
What is the InChIKey of 2-(5,6-dimethoxy-1-methylindol-3-yl)-N-methylethanamine?
The InChIKey is JKDNLKVVFWSBND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-15-6-5-10-9-16(2)12-8-14(18-4)13(17-3)7-11(10)12/h7-9,15H,5-6H2,1-4H3.
What are the key properties of 2-(5,6-dimethoxy-1-methylindol-3-yl)-N-methylethanamine?
2-(5,6-dimethoxy-1-methylindol-3-yl)-N-methylethanamine has a molecular weight of 248.33 g/mol, XLogP of 1.96, 5 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-methylindol-3-yl)-N-methylethanamine is sourced from PubChem (CID 96675794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).