2-[2-[5-(benzylamino)pentyl]pyrrol-2-yl]ethanol

C18H26N2O — CID 57177749

IUPAC2-[2-[5-(benzylamino)pentyl]pyrrol-2-yl]ethanol
SMILESOCCC1(CCCCCNCc2ccccc2)C=CC=N1
InChIInChI=1S/C18H26N2O/c21-15-12-18(11-7-14-20-18)10-5-2-6-13-19-16-17-8-3-1-4-9-17/h1,3-4,7-9,11,14,19,21H,2,5-6,10,12-13,15-16H2
InChIKeyKWYORKALFFVUMM-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.10
Rot. Bonds10

About 2-[2-[5-(benzylamino)pentyl]pyrrol-2-yl]ethanol

2-[2-[5-(benzylamino)pentyl]pyrrol-2-yl]ethanol (PubChem CID 57177749) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 2-[2-[5-(benzylamino)pentyl]pyrrol-2-yl]ethanol.

Molecular Properties

Compound Name2-[2-[5-(benzylamino)pentyl]pyrrol-2-yl]ethanol
PubChem CID57177749
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name2-[2-[5-(benzylamino)pentyl]pyrrol-2-yl]ethanol
SMILESOCCC1(CCCCCNCc2ccccc2)C=CC=N1
InChIInChI=1S/C18H26N2O/c21-15-12-18(11-7-14-20-18)10-5-2-6-13-19-16-17-8-3-1-4-9-17/h1,3-4,7-9,11,14,19,21H,2,5-6,10,12-13,15-16H2
InChIKeyKWYORKALFFVUMM-UHFFFAOYSA-N
XLogP3.10
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.10
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

7-Phenyl-6-azaspiro[4.5]decan-9-ol
CID 2729872
8-Benzylamino-1-octanol
CID 44629746
10-Benzylamino-1-decanol
CID 44629747
12-Benzylamino-1-dodecanol
CID 44630169
2-[2-[6-[2-[(4-Fluorophenyl)methyl]pyrrol-2-yl]hexyl]pyrrol-2-yl]ethanol
CID 57306570
3-(2-Fluorophenyl)-3-(propylamino)butan-1-ol
CID 65234445
3-(2,5-Difluorophenyl)-3-(propylamino)butan-1-ol
CID 65234559
3-(2,6-Difluorophenyl)-3-(propylamino)butan-1-ol
CID 65234792
3-(Ethylamino)-3-(3-fluorophenyl)butan-1-ol
CID 65235049
3-(2,4-Difluorophenyl)-3-(ethylamino)butan-1-ol
CID 65235112
3-(3-Fluorophenyl)-3-(propylamino)butan-1-ol
CID 65235256
3-(4-Fluorophenyl)-3-(propylamino)butan-1-ol
CID 65235266

Frequently Asked Questions

What is the IUPAC name of 2-[2-[5-(benzylamino)pentyl]pyrrol-2-yl]ethanol?
The IUPAC name of 2-[2-[5-(benzylamino)pentyl]pyrrol-2-yl]ethanol (CID 57177749) is 2-[2-[5-(benzylamino)pentyl]pyrrol-2-yl]ethanol.
What is the SMILES notation for 2-[2-[5-(benzylamino)pentyl]pyrrol-2-yl]ethanol?
The canonical SMILES for 2-[2-[5-(benzylamino)pentyl]pyrrol-2-yl]ethanol is OCCC1(CCCCCNCc2ccccc2)C=CC=N1.
What is the InChIKey of 2-[2-[5-(benzylamino)pentyl]pyrrol-2-yl]ethanol?
The InChIKey is KWYORKALFFVUMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c21-15-12-18(11-7-14-20-18)10-5-2-6-13-19-16-17-8-3-1-4-9-17/h1,3-4,7-9,11,14,19,21H,2,5-6,10,12-13,15-16H2.
What are the key properties of 2-[2-[5-(benzylamino)pentyl]pyrrol-2-yl]ethanol?
2-[2-[5-(benzylamino)pentyl]pyrrol-2-yl]ethanol has a molecular weight of 286.42 g/mol, XLogP of 3.10, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[5-(benzylamino)pentyl]pyrrol-2-yl]ethanol is sourced from PubChem (CID 57177749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).