2-(2,5-dimethyl-1-phenylpyrrol-3-yl)ethanamine

C14H18N2 — CID 7064076

IUPAC2-(2,5-dimethyl-1-phenylpyrrol-3-yl)ethanamine
SMILESCc1cc(CCN)c(C)n1-c1ccccc1
InChIInChI=1S/C14H18N2/c1-11-10-13(8-9-15)12(2)16(11)14-6-4-3-5-7-14/h3-7,10H,8-9,15H2,1-2H3
InChIKeyDWIMHBFTVNRUAY-UHFFFAOYSA-N
MW214.31 g/mol
LogP2.60
Rot. Bonds3

About 2-(2,5-dimethyl-1-phenylpyrrol-3-yl)ethanamine

2-(2,5-dimethyl-1-phenylpyrrol-3-yl)ethanamine (PubChem CID 7064076) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 2-(2,5-dimethyl-1-phenylpyrrol-3-yl)ethanamine.

Molecular Properties

Compound Name2-(2,5-dimethyl-1-phenylpyrrol-3-yl)ethanamine
PubChem CID7064076
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name2-(2,5-dimethyl-1-phenylpyrrol-3-yl)ethanamine
SMILESCc1cc(CCN)c(C)n1-c1ccccc1
InChIInChI=1S/C14H18N2/c1-11-10-13(8-9-15)12(2)16(11)14-6-4-3-5-7-14/h3-7,10H,8-9,15H2,1-2H3
InChIKeyDWIMHBFTVNRUAY-UHFFFAOYSA-N
XLogP2.60
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(2,5-dimethyl-1-phenylpyrrol-3-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

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethyl-1-phenylpyrrol-3-yl)ethanamine?
The IUPAC name of 2-(2,5-dimethyl-1-phenylpyrrol-3-yl)ethanamine (CID 7064076) is 2-(2,5-dimethyl-1-phenylpyrrol-3-yl)ethanamine.
What is the SMILES notation for 2-(2,5-dimethyl-1-phenylpyrrol-3-yl)ethanamine?
The canonical SMILES for 2-(2,5-dimethyl-1-phenylpyrrol-3-yl)ethanamine is Cc1cc(CCN)c(C)n1-c1ccccc1.
What is the InChIKey of 2-(2,5-dimethyl-1-phenylpyrrol-3-yl)ethanamine?
The InChIKey is DWIMHBFTVNRUAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2/c1-11-10-13(8-9-15)12(2)16(11)14-6-4-3-5-7-14/h3-7,10H,8-9,15H2,1-2H3.
What are the key properties of 2-(2,5-dimethyl-1-phenylpyrrol-3-yl)ethanamine?
2-(2,5-dimethyl-1-phenylpyrrol-3-yl)ethanamine has a molecular weight of 214.31 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethyl-1-phenylpyrrol-3-yl)ethanamine is sourced from PubChem (CID 7064076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).