1-[1-(2-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]-N-methylmethanamine

C15H20N2O — CID 50850667

IUPAC1-[1-(2-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]-N-methylmethanamine
SMILESCNCc1cc(C)n(-c2ccccc2OC)c1C
InChIInChI=1S/C15H20N2O/c1-11-9-13(10-16-3)12(2)17(11)14-7-5-6-8-15(14)18-4/h5-9,16H,10H2,1-4H3
InChIKeyUHCOESCUPJMSEK-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.82
Rot. Bonds4

About 1-[1-(2-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]-N-methylmethanamine

1-[1-(2-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]-N-methylmethanamine (PubChem CID 50850667) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 1-[1-(2-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-(2-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]-N-methylmethanamine
PubChem CID50850667
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name1-[1-(2-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]-N-methylmethanamine
SMILESCNCc1cc(C)n(-c2ccccc2OC)c1C
InChIInChI=1S/C15H20N2O/c1-11-9-13(10-16-3)12(2)17(11)14-7-5-6-8-15(14)18-4/h5-9,16H,10H2,1-4H3
InChIKeyUHCOESCUPJMSEK-UHFFFAOYSA-N
XLogP2.82
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

Analyze 1-[1-(2-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]-N-methylmethanamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-(2-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]-N-methylmethanamine (CID 50850667) is 1-[1-(2-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-(2-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-(2-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]-N-methylmethanamine is CNCc1cc(C)n(-c2ccccc2OC)c1C.
What is the InChIKey of 1-[1-(2-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]-N-methylmethanamine?
The InChIKey is UHCOESCUPJMSEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-11-9-13(10-16-3)12(2)17(11)14-7-5-6-8-15(14)18-4/h5-9,16H,10H2,1-4H3.
What are the key properties of 1-[1-(2-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]-N-methylmethanamine?
1-[1-(2-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]-N-methylmethanamine has a molecular weight of 244.34 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]-N-methylmethanamine is sourced from PubChem (CID 50850667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).