2-[(1-methylpyrrol-3-yl)methylamino]ethanol

C8H14N2O — CID 66397449

IUPAC2-[(1-methylpyrrol-3-yl)methylamino]ethanol
SMILESCn1ccc(CNCCO)c1
InChIInChI=1S/C8H14N2O/c1-10-4-2-8(7-10)6-9-3-5-11/h2,4,7,9,11H,3,5-6H2,1H3
InChIKeyPTAFKNVSFFDHPS-UHFFFAOYSA-N
MW154.21 g/mol
LogP0.11
Rot. Bonds4

About 2-[(1-methylpyrrol-3-yl)methylamino]ethanol

2-[(1-methylpyrrol-3-yl)methylamino]ethanol (PubChem CID 66397449) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 2-[(1-methylpyrrol-3-yl)methylamino]ethanol.

Molecular Properties

Compound Name2-[(1-methylpyrrol-3-yl)methylamino]ethanol
PubChem CID66397449
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name2-[(1-methylpyrrol-3-yl)methylamino]ethanol
SMILESCn1ccc(CNCCO)c1
InChIInChI=1S/C8H14N2O/c1-10-4-2-8(7-10)6-9-3-5-11/h2,4,7,9,11H,3,5-6H2,1H3
InChIKeyPTAFKNVSFFDHPS-UHFFFAOYSA-N
XLogP0.11
TPSA37.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[(1-methylpyrrol-3-yl)methylamino]ethanol 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-[(1-methylpyrrol-3-yl)methylamino]ethanol?
The IUPAC name of 2-[(1-methylpyrrol-3-yl)methylamino]ethanol (CID 66397449) is 2-[(1-methylpyrrol-3-yl)methylamino]ethanol.
What is the SMILES notation for 2-[(1-methylpyrrol-3-yl)methylamino]ethanol?
The canonical SMILES for 2-[(1-methylpyrrol-3-yl)methylamino]ethanol is Cn1ccc(CNCCO)c1.
What is the InChIKey of 2-[(1-methylpyrrol-3-yl)methylamino]ethanol?
The InChIKey is PTAFKNVSFFDHPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-10-4-2-8(7-10)6-9-3-5-11/h2,4,7,9,11H,3,5-6H2,1H3.
What are the key properties of 2-[(1-methylpyrrol-3-yl)methylamino]ethanol?
2-[(1-methylpyrrol-3-yl)methylamino]ethanol has a molecular weight of 154.21 g/mol, XLogP of 0.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylpyrrol-3-yl)methylamino]ethanol is sourced from PubChem (CID 66397449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).