2-[2-[(1-propylpyrrol-2-yl)methylamino]ethoxy]ethanol

C12H22N2O2 — CID 66413467

IUPAC2-[2-[(1-propylpyrrol-2-yl)methylamino]ethoxy]ethanol
SMILESCCCn1cccc1CNCCOCCO
InChIInChI=1S/C12H22N2O2/c1-2-6-14-7-3-4-12(14)11-13-5-9-16-10-8-15/h3-4,7,13,15H,2,5-6,8-11H2,1H3
InChIKeyCHSFIMKORRJTKL-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.00
Rot. Bonds9

About 2-[2-[(1-propylpyrrol-2-yl)methylamino]ethoxy]ethanol

2-[2-[(1-propylpyrrol-2-yl)methylamino]ethoxy]ethanol (PubChem CID 66413467) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 2-[2-[(1-propylpyrrol-2-yl)methylamino]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[(1-propylpyrrol-2-yl)methylamino]ethoxy]ethanol
PubChem CID66413467
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name2-[2-[(1-propylpyrrol-2-yl)methylamino]ethoxy]ethanol
SMILESCCCn1cccc1CNCCOCCO
InChIInChI=1S/C12H22N2O2/c1-2-6-14-7-3-4-12(14)11-13-5-9-16-10-8-15/h3-4,7,13,15H,2,5-6,8-11H2,1H3
InChIKeyCHSFIMKORRJTKL-UHFFFAOYSA-N
XLogP1.00
TPSA46.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(propylaminomethyl)pyrrol-1-yl]propan-1-ol
CID 66401970
N-[(1-propylpyrrol-2-yl)methyl]pentan-1-amine
CID 66411473
2-methoxy-N-[[1-[2-(2-methoxyethoxy)ethyl]pyrrol-2-yl]methyl]ethanamine
CID 66401871
N-[[1-[2-(3-methoxypropoxy)ethyl]pyrrol-2-yl]methyl]propan-1-amine
CID 103181721
N'-methyl-N'-propan-2-yl-N-[(1-propylpyrrol-2-yl)methyl]propane-1,3-diamine
CID 114139714
2-phenyl-N-[(1-propylpyrrol-2-yl)methyl]ethanamine
CID 66412851
2-methyl-3-[(1-propylpyrrol-2-yl)methylamino]propan-1-ol
CID 66443446
N-(2-methoxyethyl)-2-[(1-propylpyrrol-2-yl)methylamino]acetamide
CID 113405048
3-phenyl-N-[(1-propylpyrrol-2-yl)methyl]propan-1-amine
CID 66411689
N-[[1-(methoxymethyl)pyrrol-2-yl]methyl]propan-1-amine
CID 66403728
N-[[1-(2-methoxyethyl)pyrrol-2-yl]methyl]ethanamine
CID 46784899
3-[[(1-propylpyrrol-2-yl)methylamino]methyl]pentan-3-ol
CID 66443840

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(1-propylpyrrol-2-yl)methylamino]ethoxy]ethanol?
The IUPAC name of 2-[2-[(1-propylpyrrol-2-yl)methylamino]ethoxy]ethanol (CID 66413467) is 2-[2-[(1-propylpyrrol-2-yl)methylamino]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[(1-propylpyrrol-2-yl)methylamino]ethoxy]ethanol?
The canonical SMILES for 2-[2-[(1-propylpyrrol-2-yl)methylamino]ethoxy]ethanol is CCCn1cccc1CNCCOCCO.
What is the InChIKey of 2-[2-[(1-propylpyrrol-2-yl)methylamino]ethoxy]ethanol?
The InChIKey is CHSFIMKORRJTKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-2-6-14-7-3-4-12(14)11-13-5-9-16-10-8-15/h3-4,7,13,15H,2,5-6,8-11H2,1H3.
What are the key properties of 2-[2-[(1-propylpyrrol-2-yl)methylamino]ethoxy]ethanol?
2-[2-[(1-propylpyrrol-2-yl)methylamino]ethoxy]ethanol has a molecular weight of 226.32 g/mol, XLogP of 1.00, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(1-propylpyrrol-2-yl)methylamino]ethoxy]ethanol is sourced from PubChem (CID 66413467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).