2-[1-(2-methoxy-5-methylphenyl)pyrrol-2-yl]ethanamine

C14H18N2O — CID 82288882

IUPAC2-[1-(2-methoxy-5-methylphenyl)pyrrol-2-yl]ethanamine
SMILESCOc1ccc(C)cc1-n1cccc1CCN
InChIInChI=1S/C14H18N2O/c1-11-5-6-14(17-2)13(10-11)16-9-3-4-12(16)7-8-15/h3-6,9-10H,7-8,15H2,1-2H3
InChIKeyNRYIYZNFGYKSCV-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.30
Rot. Bonds4

About 2-[1-(2-methoxy-5-methylphenyl)pyrrol-2-yl]ethanamine

2-[1-(2-methoxy-5-methylphenyl)pyrrol-2-yl]ethanamine (PubChem CID 82288882) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-[1-(2-methoxy-5-methylphenyl)pyrrol-2-yl]ethanamine.

Molecular Properties

Compound Name2-[1-(2-methoxy-5-methylphenyl)pyrrol-2-yl]ethanamine
PubChem CID82288882
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name2-[1-(2-methoxy-5-methylphenyl)pyrrol-2-yl]ethanamine
SMILESCOc1ccc(C)cc1-n1cccc1CCN
InChIInChI=1S/C14H18N2O/c1-11-5-6-14(17-2)13(10-11)16-9-3-4-12(16)7-8-15/h3-6,9-10H,7-8,15H2,1-2H3
InChIKeyNRYIYZNFGYKSCV-UHFFFAOYSA-N
XLogP2.30
TPSA40.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[1-(2-methoxy-5-methylphenyl)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

2-[1-(3,4-dimethoxyphenyl)pyrrol-2-yl]ethanamine
CID 95457458
3-[1-(2-methoxyphenyl)pyrrol-2-yl]propan-1-amine
CID 170879075
2-[1-(4-methylphenyl)pyrrol-2-yl]ethanamine
CID 82282287
2-[1-[(5-chloro-2-methoxyphenyl)methyl]pyrrol-2-yl]ethanamine
CID 66406454
2-[2-(2,5-dimethoxyphenyl)-4-methylphenyl]ethanamine
CID 137354597
1-(2-methoxy-5-methylphenyl)-2,5-dimethylpyrrole
CID 39243590
4-(2-methoxy-5-methylphenyl)-3-(2-pyrazol-1-ylethyl)-1,2,4-triazole
CID 56713646
[3-(2-methoxy-5-methylphenyl)triazol-4-yl]methanamine
CID 82200722
5-(2-aminoethyl)-4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-amine
CID 39363228
1-(2-methoxy-5-methylphenyl)-N,4-dimethylimidazol-2-amine
CID 106557791
2-[1-(6-methyl-2-pyridinyl)pyrrol-2-yl]ethanamine
CID 170868965
[2-(2-methoxy-5-methylphenyl)tetrazol-5-yl]methanamine
CID 82285789

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methoxy-5-methylphenyl)pyrrol-2-yl]ethanamine?
The IUPAC name of 2-[1-(2-methoxy-5-methylphenyl)pyrrol-2-yl]ethanamine (CID 82288882) is 2-[1-(2-methoxy-5-methylphenyl)pyrrol-2-yl]ethanamine.
What is the SMILES notation for 2-[1-(2-methoxy-5-methylphenyl)pyrrol-2-yl]ethanamine?
The canonical SMILES for 2-[1-(2-methoxy-5-methylphenyl)pyrrol-2-yl]ethanamine is COc1ccc(C)cc1-n1cccc1CCN.
What is the InChIKey of 2-[1-(2-methoxy-5-methylphenyl)pyrrol-2-yl]ethanamine?
The InChIKey is NRYIYZNFGYKSCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-11-5-6-14(17-2)13(10-11)16-9-3-4-12(16)7-8-15/h3-6,9-10H,7-8,15H2,1-2H3.
What are the key properties of 2-[1-(2-methoxy-5-methylphenyl)pyrrol-2-yl]ethanamine?
2-[1-(2-methoxy-5-methylphenyl)pyrrol-2-yl]ethanamine has a molecular weight of 230.31 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methoxy-5-methylphenyl)pyrrol-2-yl]ethanamine is sourced from PubChem (CID 82288882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).