2-[2-[2-(benzylamino)ethyl]pyrrol-2-yl]ethanol

C15H20N2O — CID 57017070

IUPAC2-[2-[2-(benzylamino)ethyl]pyrrol-2-yl]ethanol
SMILESOCCC1(CCNCc2ccccc2)C=CC=N1
InChIInChI=1S/C15H20N2O/c18-12-9-15(7-4-10-17-15)8-11-16-13-14-5-2-1-3-6-14/h1-7,10,16,18H,8-9,11-13H2
InChIKeySBZSOVUFEFGKCJ-UHFFFAOYSA-N
MW244.34 g/mol
LogP1.93
Rot. Bonds7

About 2-[2-[2-(benzylamino)ethyl]pyrrol-2-yl]ethanol

2-[2-[2-(benzylamino)ethyl]pyrrol-2-yl]ethanol (PubChem CID 57017070) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 2-[2-[2-(benzylamino)ethyl]pyrrol-2-yl]ethanol.

Molecular Properties

Compound Name2-[2-[2-(benzylamino)ethyl]pyrrol-2-yl]ethanol
PubChem CID57017070
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name2-[2-[2-(benzylamino)ethyl]pyrrol-2-yl]ethanol
SMILESOCCC1(CCNCc2ccccc2)C=CC=N1
InChIInChI=1S/C15H20N2O/c18-12-9-15(7-4-10-17-15)8-11-16-13-14-5-2-1-3-6-14/h1-7,10,16,18H,8-9,11-13H2
InChIKeySBZSOVUFEFGKCJ-UHFFFAOYSA-N
XLogP1.93
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(benzylamino)ethyl]pyrrol-2-yl]ethanol?
The IUPAC name of 2-[2-[2-(benzylamino)ethyl]pyrrol-2-yl]ethanol (CID 57017070) is 2-[2-[2-(benzylamino)ethyl]pyrrol-2-yl]ethanol.
What is the SMILES notation for 2-[2-[2-(benzylamino)ethyl]pyrrol-2-yl]ethanol?
The canonical SMILES for 2-[2-[2-(benzylamino)ethyl]pyrrol-2-yl]ethanol is OCCC1(CCNCc2ccccc2)C=CC=N1.
What is the InChIKey of 2-[2-[2-(benzylamino)ethyl]pyrrol-2-yl]ethanol?
The InChIKey is SBZSOVUFEFGKCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c18-12-9-15(7-4-10-17-15)8-11-16-13-14-5-2-1-3-6-14/h1-7,10,16,18H,8-9,11-13H2.
What are the key properties of 2-[2-[2-(benzylamino)ethyl]pyrrol-2-yl]ethanol?
2-[2-[2-(benzylamino)ethyl]pyrrol-2-yl]ethanol has a molecular weight of 244.34 g/mol, XLogP of 1.93, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(benzylamino)ethyl]pyrrol-2-yl]ethanol is sourced from PubChem (CID 57017070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).