2-[2-[6-(2-phenylethylamino)hexyl]pyrrol-2-yl]ethanol

C20H30N2O — CID 57169033

IUPAC2-[2-[6-(2-phenylethylamino)hexyl]pyrrol-2-yl]ethanol
SMILESOCCC1(CCCCCCNCCc2ccccc2)C=CC=N1
InChIInChI=1S/C20H30N2O/c23-18-14-20(13-8-16-22-20)12-6-1-2-7-15-21-17-11-19-9-4-3-5-10-19/h3-5,8-10,13,16,21,23H,1-2,6-7,11-12,14-15,17-18H2
InChIKeyWOFPWLNGGRJUCL-UHFFFAOYSA-N
MW314.47 g/mol
LogP3.53
Rot. Bonds12

About 2-[2-[6-(2-phenylethylamino)hexyl]pyrrol-2-yl]ethanol

2-[2-[6-(2-phenylethylamino)hexyl]pyrrol-2-yl]ethanol (PubChem CID 57169033) has the molecular formula C20H30N2O and a molecular weight of 314.47 g/mol. Its IUPAC name is 2-[2-[6-(2-phenylethylamino)hexyl]pyrrol-2-yl]ethanol.

Molecular Properties

Compound Name2-[2-[6-(2-phenylethylamino)hexyl]pyrrol-2-yl]ethanol
PubChem CID57169033
Molecular FormulaC20H30N2O
Molecular Weight314.47 g/mol
Exact Mass314.24
IUPAC Name2-[2-[6-(2-phenylethylamino)hexyl]pyrrol-2-yl]ethanol
SMILESOCCC1(CCCCCCNCCc2ccccc2)C=CC=N1
InChIInChI=1S/C20H30N2O/c23-18-14-20(13-8-16-22-20)12-6-1-2-7-15-21-17-11-19-9-4-3-5-10-19/h3-5,8-10,13,16,21,23H,1-2,6-7,11-12,14-15,17-18H2
InChIKeyWOFPWLNGGRJUCL-UHFFFAOYSA-N
XLogP3.53
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.47
LogP ≤ 53.53
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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Related Compounds

2-[2-[6-[2-[(4-Fluorophenyl)methyl]pyrrol-2-yl]hexyl]pyrrol-2-yl]ethanol
CID 57306570
2-[3-[[(Z)-3-aminoprop-2-enylidene]amino]propylamino]-3-(4-fluorophenyl)propan-1-ol
CID 170631489
3-(4-Fluorophenyl)-2-[3-(3-iminopropylamino)propylamino]propan-1-ol
CID 170631493
2-[1-(2-Phenylethylamino)cyclohexyl]ethanol
CID 71857059
9-[2-(2-Phenylethyl)pyrrol-2-yl]nonane-1,8-diol
CID 56977286
2-(2-Benzylpyrrol-2-yl)ethanol
CID 56995075
2-[2-[2-(Benzylamino)ethyl]pyrrol-2-yl]ethanol
CID 57017070
3-[2-[4-(Benzylamino)butyl]pyrrol-2-yl]propan-1-ol
CID 57052668
2-[2-(2-Methyl-4-phenylbutan-2-yl)pyrrol-2-yl]ethanol
CID 57069278
2-Amino-1-[2-(4-phenylbutyl)pyrrol-2-yl]propan-1-ol
CID 57089177
5-[2-[6-(Benzylamino)hexyl]pyrrol-2-yl]pentan-1-ol
CID 57097507
2-(2-Methylpyrrol-2-yl)-3-phenylpropan-1-ol
CID 57112217

Frequently Asked Questions

What is the IUPAC name of 2-[2-[6-(2-phenylethylamino)hexyl]pyrrol-2-yl]ethanol?
The IUPAC name of 2-[2-[6-(2-phenylethylamino)hexyl]pyrrol-2-yl]ethanol (CID 57169033) is 2-[2-[6-(2-phenylethylamino)hexyl]pyrrol-2-yl]ethanol.
What is the SMILES notation for 2-[2-[6-(2-phenylethylamino)hexyl]pyrrol-2-yl]ethanol?
The canonical SMILES for 2-[2-[6-(2-phenylethylamino)hexyl]pyrrol-2-yl]ethanol is OCCC1(CCCCCCNCCc2ccccc2)C=CC=N1.
What is the InChIKey of 2-[2-[6-(2-phenylethylamino)hexyl]pyrrol-2-yl]ethanol?
The InChIKey is WOFPWLNGGRJUCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O/c23-18-14-20(13-8-16-22-20)12-6-1-2-7-15-21-17-11-19-9-4-3-5-10-19/h3-5,8-10,13,16,21,23H,1-2,6-7,11-12,14-15,17-18H2.
What are the key properties of 2-[2-[6-(2-phenylethylamino)hexyl]pyrrol-2-yl]ethanol?
2-[2-[6-(2-phenylethylamino)hexyl]pyrrol-2-yl]ethanol has a molecular weight of 314.47 g/mol, XLogP of 3.53, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[6-(2-phenylethylamino)hexyl]pyrrol-2-yl]ethanol is sourced from PubChem (CID 57169033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).