1-methyl-5-[1-(3,4,5-trimethoxyphenyl)ethyl]indole

C20H23NO3 — CID 52914800

IUPAC1-methyl-5-[1-(3,4,5-trimethoxyphenyl)ethyl]indole
SMILESCOc1cc(C(C)c2ccc3c(ccn3C)c2)cc(OC)c1OC
InChIInChI=1S/C20H23NO3/c1-13(14-6-7-17-15(10-14)8-9-21(17)2)16-11-18(22-3)20(24-5)19(12-16)23-4/h6-13H,1-5H3
InChIKeyKSMCRSWQQZCSAS-UHFFFAOYSA-N
MW325.41 g/mol
LogP4.36
Rot. Bonds5

About 1-methyl-5-[1-(3,4,5-trimethoxyphenyl)ethyl]indole

1-methyl-5-[1-(3,4,5-trimethoxyphenyl)ethyl]indole (PubChem CID 52914800) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is 1-methyl-5-[1-(3,4,5-trimethoxyphenyl)ethyl]indole.

Molecular Properties

Compound Name1-methyl-5-[1-(3,4,5-trimethoxyphenyl)ethyl]indole
PubChem CID52914800
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Name1-methyl-5-[1-(3,4,5-trimethoxyphenyl)ethyl]indole
SMILESCOc1cc(C(C)c2ccc3c(ccn3C)c2)cc(OC)c1OC
InChIInChI=1S/C20H23NO3/c1-13(14-6-7-17-15(10-14)8-9-21(17)2)16-11-18(22-3)20(24-5)19(12-16)23-4/h6-13H,1-5H3
InChIKeyKSMCRSWQQZCSAS-UHFFFAOYSA-N
XLogP4.36
TPSA32.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[1-(3,4,5-trimethoxyphenyl)ethyl]indole?
The IUPAC name of 1-methyl-5-[1-(3,4,5-trimethoxyphenyl)ethyl]indole (CID 52914800) is 1-methyl-5-[1-(3,4,5-trimethoxyphenyl)ethyl]indole.
What is the SMILES notation for 1-methyl-5-[1-(3,4,5-trimethoxyphenyl)ethyl]indole?
The canonical SMILES for 1-methyl-5-[1-(3,4,5-trimethoxyphenyl)ethyl]indole is COc1cc(C(C)c2ccc3c(ccn3C)c2)cc(OC)c1OC.
What is the InChIKey of 1-methyl-5-[1-(3,4,5-trimethoxyphenyl)ethyl]indole?
The InChIKey is KSMCRSWQQZCSAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3/c1-13(14-6-7-17-15(10-14)8-9-21(17)2)16-11-18(22-3)20(24-5)19(12-16)23-4/h6-13H,1-5H3.
What are the key properties of 1-methyl-5-[1-(3,4,5-trimethoxyphenyl)ethyl]indole?
1-methyl-5-[1-(3,4,5-trimethoxyphenyl)ethyl]indole has a molecular weight of 325.41 g/mol, XLogP of 4.36, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[1-(3,4,5-trimethoxyphenyl)ethyl]indole is sourced from PubChem (CID 52914800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).