2-[4-ethenyl-5-methyl-3-(2,3,4-trimethoxyphenyl)-1H-pyrrol-2-yl]ethanamine

C18H24N2O3 — CID 163902113

IUPAC2-[4-ethenyl-5-methyl-3-(2,3,4-trimethoxyphenyl)-1H-pyrrol-2-yl]ethanamine
SMILESC=Cc1c(C)[nH]c(CCN)c1-c1ccc(OC)c(OC)c1OC
InChIInChI=1S/C18H24N2O3/c1-6-12-11(2)20-14(9-10-19)16(12)13-7-8-15(21-3)18(23-5)17(13)22-4/h6-8,20H,1,9-10,19H2,2-5H3
InChIKeyQKTJBHCAGWMVLV-UHFFFAOYSA-N
MW316.40 g/mol
LogP3.16
Rot. Bonds7

About 2-[4-ethenyl-5-methyl-3-(2,3,4-trimethoxyphenyl)-1H-pyrrol-2-yl]ethanamine

2-[4-ethenyl-5-methyl-3-(2,3,4-trimethoxyphenyl)-1H-pyrrol-2-yl]ethanamine (PubChem CID 163902113) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is 2-[4-ethenyl-5-methyl-3-(2,3,4-trimethoxyphenyl)-1H-pyrrol-2-yl]ethanamine.

Molecular Properties

Compound Name2-[4-ethenyl-5-methyl-3-(2,3,4-trimethoxyphenyl)-1H-pyrrol-2-yl]ethanamine
PubChem CID163902113
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name2-[4-ethenyl-5-methyl-3-(2,3,4-trimethoxyphenyl)-1H-pyrrol-2-yl]ethanamine
SMILESC=Cc1c(C)[nH]c(CCN)c1-c1ccc(OC)c(OC)c1OC
InChIInChI=1S/C18H24N2O3/c1-6-12-11(2)20-14(9-10-19)16(12)13-7-8-15(21-3)18(23-5)17(13)22-4/h6-8,20H,1,9-10,19H2,2-5H3
InChIKeyQKTJBHCAGWMVLV-UHFFFAOYSA-N
XLogP3.16
TPSA69.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[4-ethenyl-5-methyl-3-(2,3,4-trimethoxyphenyl)-1H-pyrrol-2-yl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[5-(2-aminoethyl)-3-chloro-4-(2,3,4-trimethoxyphenyl)-1H-pyrrol-2-yl] butanoate
CID 122610063
5-(2-aminoethyl)-3-(methoxymethyl)-4-(2,3,4-trimethoxyphenyl)-1H-pyrrole-2-carboxylic acid
CID 134419938
2-[4-(2,3,4-trimethoxyphenyl)phenyl]ethanamine
CID 82039666
ethyl 5-(aminomethyl)-3-[(E)-3-methoxy-3-oxoprop-1-enyl]-4-(2,3,4-trimethoxyphenyl)-1H-pyrrole-2-carboxylate
CID 144808510
3-bromo-5-ethenyl-4-(2,3,4-trimethoxyphenyl)-1H-pyrrole-2-carboxylic acid
CID 144808547
1,2,3-trimethoxy-4-(2,4,6-trimethylphenyl)benzene
CID 173437157
[2-ethenyl-6-(2,3,4-trimethoxyphenyl)phenoxy]methanol
CID 141151440
methyl 3-(3-methoxy-3-oxoprop-1-enyl)-5-(propylaminomethyl)-4-(2,3,4-trimethoxyphenyl)-1H-pyrrole-2-carboxylate
CID 134419890
ethyl 5-[(E)-methoxyiminomethyl]-3-prop-1-en-2-yl-4-(2,3,4-trimethoxyphenyl)-1H-pyrrole-2-carboxylate
CID 137308075
5-ethyl-3-(2-methoxyethyl)-4-(2,3,4-trimethoxyphenyl)-1H-pyrrole-2-carboxylic acid
CID 144808555
1-(4-chlorophenyl)-2,3,4-trimethoxybenzene
CID 57161799
4-fluoro-2-methyl-5-(2,3,4-trimethoxyphenyl)aniline
CID 107593812

Frequently Asked Questions

What is the IUPAC name of 2-[4-ethenyl-5-methyl-3-(2,3,4-trimethoxyphenyl)-1H-pyrrol-2-yl]ethanamine?
The IUPAC name of 2-[4-ethenyl-5-methyl-3-(2,3,4-trimethoxyphenyl)-1H-pyrrol-2-yl]ethanamine (CID 163902113) is 2-[4-ethenyl-5-methyl-3-(2,3,4-trimethoxyphenyl)-1H-pyrrol-2-yl]ethanamine.
What is the SMILES notation for 2-[4-ethenyl-5-methyl-3-(2,3,4-trimethoxyphenyl)-1H-pyrrol-2-yl]ethanamine?
The canonical SMILES for 2-[4-ethenyl-5-methyl-3-(2,3,4-trimethoxyphenyl)-1H-pyrrol-2-yl]ethanamine is C=Cc1c(C)[nH]c(CCN)c1-c1ccc(OC)c(OC)c1OC.
What is the InChIKey of 2-[4-ethenyl-5-methyl-3-(2,3,4-trimethoxyphenyl)-1H-pyrrol-2-yl]ethanamine?
The InChIKey is QKTJBHCAGWMVLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-6-12-11(2)20-14(9-10-19)16(12)13-7-8-15(21-3)18(23-5)17(13)22-4/h6-8,20H,1,9-10,19H2,2-5H3.
What are the key properties of 2-[4-ethenyl-5-methyl-3-(2,3,4-trimethoxyphenyl)-1H-pyrrol-2-yl]ethanamine?
2-[4-ethenyl-5-methyl-3-(2,3,4-trimethoxyphenyl)-1H-pyrrol-2-yl]ethanamine has a molecular weight of 316.40 g/mol, XLogP of 3.16, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-ethenyl-5-methyl-3-(2,3,4-trimethoxyphenyl)-1H-pyrrol-2-yl]ethanamine is sourced from PubChem (CID 163902113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).