1-methyl-N-propyl-N-(3,4,5-trimethoxyphenyl)indol-5-amine

C21H26N2O3 — CID 90671569

IUPAC1-methyl-N-propyl-N-(3,4,5-trimethoxyphenyl)indol-5-amine
SMILESCCCN(c1cc(OC)c(OC)c(OC)c1)c1ccc2c(ccn2C)c1
InChIInChI=1S/C21H26N2O3/c1-6-10-23(16-7-8-18-15(12-16)9-11-22(18)2)17-13-19(24-3)21(26-5)20(14-17)25-4/h7-9,11-14H,6,10H2,1-5H3
InChIKeyYXULNSXXRGGRHP-UHFFFAOYSA-N
MW354.45 g/mol
LogP4.75
Rot. Bonds7

About 1-methyl-N-propyl-N-(3,4,5-trimethoxyphenyl)indol-5-amine

1-methyl-N-propyl-N-(3,4,5-trimethoxyphenyl)indol-5-amine (PubChem CID 90671569) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is 1-methyl-N-propyl-N-(3,4,5-trimethoxyphenyl)indol-5-amine.

Molecular Properties

Compound Name1-methyl-N-propyl-N-(3,4,5-trimethoxyphenyl)indol-5-amine
PubChem CID90671569
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name1-methyl-N-propyl-N-(3,4,5-trimethoxyphenyl)indol-5-amine
SMILESCCCN(c1cc(OC)c(OC)c(OC)c1)c1ccc2c(ccn2C)c1
InChIInChI=1S/C21H26N2O3/c1-6-10-23(16-7-8-18-15(12-16)9-11-22(18)2)17-13-19(24-3)21(26-5)20(14-17)25-4/h7-9,11-14H,6,10H2,1-5H3
InChIKeyYXULNSXXRGGRHP-UHFFFAOYSA-N
XLogP4.75
TPSA35.86 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-propyl-N-(3,4,5-trimethoxyphenyl)indol-5-amine?
The IUPAC name of 1-methyl-N-propyl-N-(3,4,5-trimethoxyphenyl)indol-5-amine (CID 90671569) is 1-methyl-N-propyl-N-(3,4,5-trimethoxyphenyl)indol-5-amine.
What is the SMILES notation for 1-methyl-N-propyl-N-(3,4,5-trimethoxyphenyl)indol-5-amine?
The canonical SMILES for 1-methyl-N-propyl-N-(3,4,5-trimethoxyphenyl)indol-5-amine is CCCN(c1cc(OC)c(OC)c(OC)c1)c1ccc2c(ccn2C)c1.
What is the InChIKey of 1-methyl-N-propyl-N-(3,4,5-trimethoxyphenyl)indol-5-amine?
The InChIKey is YXULNSXXRGGRHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-6-10-23(16-7-8-18-15(12-16)9-11-22(18)2)17-13-19(24-3)21(26-5)20(14-17)25-4/h7-9,11-14H,6,10H2,1-5H3.
What are the key properties of 1-methyl-N-propyl-N-(3,4,5-trimethoxyphenyl)indol-5-amine?
1-methyl-N-propyl-N-(3,4,5-trimethoxyphenyl)indol-5-amine has a molecular weight of 354.45 g/mol, XLogP of 4.75, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-propyl-N-(3,4,5-trimethoxyphenyl)indol-5-amine is sourced from PubChem (CID 90671569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).