2-[1-(2,4-dimethoxyphenyl)-2,5-dimethylpyrrol-3-yl]ethanamine

C16H22N2O2 — CID 39373267

IUPAC2-[1-(2,4-dimethoxyphenyl)-2,5-dimethylpyrrol-3-yl]ethanamine
SMILESCOc1ccc(-n2c(C)cc(CCN)c2C)c(OC)c1
InChIInChI=1S/C16H22N2O2/c1-11-9-13(7-8-17)12(2)18(11)15-6-5-14(19-3)10-16(15)20-4/h5-6,9-10H,7-8,17H2,1-4H3
InChIKeyKQDYADLFDINSJP-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.61
Rot. Bonds5

About 2-[1-(2,4-dimethoxyphenyl)-2,5-dimethylpyrrol-3-yl]ethanamine

2-[1-(2,4-dimethoxyphenyl)-2,5-dimethylpyrrol-3-yl]ethanamine (PubChem CID 39373267) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 2-[1-(2,4-dimethoxyphenyl)-2,5-dimethylpyrrol-3-yl]ethanamine.

Molecular Properties

Compound Name2-[1-(2,4-dimethoxyphenyl)-2,5-dimethylpyrrol-3-yl]ethanamine
PubChem CID39373267
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name2-[1-(2,4-dimethoxyphenyl)-2,5-dimethylpyrrol-3-yl]ethanamine
SMILESCOc1ccc(-n2c(C)cc(CCN)c2C)c(OC)c1
InChIInChI=1S/C16H22N2O2/c1-11-9-13(7-8-17)12(2)18(11)15-6-5-14(19-3)10-16(15)20-4/h5-6,9-10H,7-8,17H2,1-4H3
InChIKeyKQDYADLFDINSJP-UHFFFAOYSA-N
XLogP2.61
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[1-(2,4-dimethoxyphenyl)-2,5-dimethylpyrrol-3-yl]methanamine
CID 45496721
2-[1-(5-chloro-2-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]ethanamine
CID 39379121
[1-(2,5-dimethoxyphenyl)-2,5-dimethylpyrrol-3-yl]methanamine
CID 66523707
2-[1-(3,4-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]ethanamine
CID 39347093
2-(2-butoxy-4-methoxyphenyl)ethanamine
CID 20985365
2-[2-(2,5-dimethoxyphenyl)-4-methylphenyl]ethanamine
CID 137354597
1-[1-(2-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]-N-methylmethanamine
CID 50850667
2-(2-bromo-5-methoxyphenyl)ethanamine
CID 46831332
[1-(2,4-dimethoxyphenyl)-5-ethyltriazol-4-yl]methanamine
CID 82197909
2-[4-(2,5-dimethoxyphenyl)-6-methylpyrimidin-2-yl]ethanamine
CID 95475597
2-(2-bromo-5-methoxyphenyl)ethanamine;hydrochloride
CID 53493299
2-(2-chloro-5-methoxyphenyl)ethanamine;hydrochloride
CID 11687211

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,4-dimethoxyphenyl)-2,5-dimethylpyrrol-3-yl]ethanamine?
The IUPAC name of 2-[1-(2,4-dimethoxyphenyl)-2,5-dimethylpyrrol-3-yl]ethanamine (CID 39373267) is 2-[1-(2,4-dimethoxyphenyl)-2,5-dimethylpyrrol-3-yl]ethanamine.
What is the SMILES notation for 2-[1-(2,4-dimethoxyphenyl)-2,5-dimethylpyrrol-3-yl]ethanamine?
The canonical SMILES for 2-[1-(2,4-dimethoxyphenyl)-2,5-dimethylpyrrol-3-yl]ethanamine is COc1ccc(-n2c(C)cc(CCN)c2C)c(OC)c1.
What is the InChIKey of 2-[1-(2,4-dimethoxyphenyl)-2,5-dimethylpyrrol-3-yl]ethanamine?
The InChIKey is KQDYADLFDINSJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-11-9-13(7-8-17)12(2)18(11)15-6-5-14(19-3)10-16(15)20-4/h5-6,9-10H,7-8,17H2,1-4H3.
What are the key properties of 2-[1-(2,4-dimethoxyphenyl)-2,5-dimethylpyrrol-3-yl]ethanamine?
2-[1-(2,4-dimethoxyphenyl)-2,5-dimethylpyrrol-3-yl]ethanamine has a molecular weight of 274.36 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,4-dimethoxyphenyl)-2,5-dimethylpyrrol-3-yl]ethanamine is sourced from PubChem (CID 39373267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).