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

C19H28N2O — CID 57112247

IUPAC2-[2-[6-(benzylamino)hexyl]pyrrol-2-yl]ethanol
SMILESOCCC1(CCCCCCNCc2ccccc2)C=CC=N1
InChIInChI=1S/C19H28N2O/c22-16-13-19(12-8-15-21-19)11-6-1-2-7-14-20-17-18-9-4-3-5-10-18/h3-5,8-10,12,15,20,22H,1-2,6-7,11,13-14,16-17H2
InChIKeyFLJBAYQDMQTSFJ-UHFFFAOYSA-N
MW300.45 g/mol
LogP3.49
Rot. Bonds11

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

2-[2-[6-(benzylamino)hexyl]pyrrol-2-yl]ethanol (PubChem CID 57112247) has the molecular formula C19H28N2O and a molecular weight of 300.45 g/mol. Its IUPAC name is 2-[2-[6-(benzylamino)hexyl]pyrrol-2-yl]ethanol.

Molecular Properties

Compound Name2-[2-[6-(benzylamino)hexyl]pyrrol-2-yl]ethanol
PubChem CID57112247
Molecular FormulaC19H28N2O
Molecular Weight300.45 g/mol
Exact Mass300.22
IUPAC Name2-[2-[6-(benzylamino)hexyl]pyrrol-2-yl]ethanol
SMILESOCCC1(CCCCCCNCc2ccccc2)C=CC=N1
InChIInChI=1S/C19H28N2O/c22-16-13-19(12-8-15-21-19)11-6-1-2-7-14-20-17-18-9-4-3-5-10-18/h3-5,8-10,12,15,20,22H,1-2,6-7,11,13-14,16-17H2
InChIKeyFLJBAYQDMQTSFJ-UHFFFAOYSA-N
XLogP3.49
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 53.49
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-[6-(benzylamino)hexyl]pyrrol-2-yl]ethanol?
The IUPAC name of 2-[2-[6-(benzylamino)hexyl]pyrrol-2-yl]ethanol (CID 57112247) is 2-[2-[6-(benzylamino)hexyl]pyrrol-2-yl]ethanol.
What is the SMILES notation for 2-[2-[6-(benzylamino)hexyl]pyrrol-2-yl]ethanol?
The canonical SMILES for 2-[2-[6-(benzylamino)hexyl]pyrrol-2-yl]ethanol is OCCC1(CCCCCCNCc2ccccc2)C=CC=N1.
What is the InChIKey of 2-[2-[6-(benzylamino)hexyl]pyrrol-2-yl]ethanol?
The InChIKey is FLJBAYQDMQTSFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O/c22-16-13-19(12-8-15-21-19)11-6-1-2-7-14-20-17-18-9-4-3-5-10-18/h3-5,8-10,12,15,20,22H,1-2,6-7,11,13-14,16-17H2.
What are the key properties of 2-[2-[6-(benzylamino)hexyl]pyrrol-2-yl]ethanol?
2-[2-[6-(benzylamino)hexyl]pyrrol-2-yl]ethanol has a molecular weight of 300.45 g/mol, XLogP of 3.49, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[6-(benzylamino)hexyl]pyrrol-2-yl]ethanol is sourced from PubChem (CID 57112247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).