2-[3-(2-methoxyethoxy)propyl-(pyrrolidin-2-ylmethyl)amino]ethanol

C13H28N2O3 — CID 106618388

IUPAC2-[3-(2-methoxyethoxy)propyl-(pyrrolidin-2-ylmethyl)amino]ethanol
SMILESCOCCOCCCN(CCO)CC1CCCN1
InChIInChI=1S/C13H28N2O3/c1-17-10-11-18-9-3-6-15(7-8-16)12-13-4-2-5-14-13/h13-14,16H,2-12H2,1H3
InChIKeyFMBXZVKMRKCSIT-UHFFFAOYSA-N
MW260.38 g/mol
LogP0.09
Rot. Bonds11

About 2-[3-(2-methoxyethoxy)propyl-(pyrrolidin-2-ylmethyl)amino]ethanol

2-[3-(2-methoxyethoxy)propyl-(pyrrolidin-2-ylmethyl)amino]ethanol (PubChem CID 106618388) has the molecular formula C13H28N2O3 and a molecular weight of 260.38 g/mol. Its IUPAC name is 2-[3-(2-methoxyethoxy)propyl-(pyrrolidin-2-ylmethyl)amino]ethanol.

Molecular Properties

Compound Name2-[3-(2-methoxyethoxy)propyl-(pyrrolidin-2-ylmethyl)amino]ethanol
PubChem CID106618388
Molecular FormulaC13H28N2O3
Molecular Weight260.38 g/mol
Exact Mass260.21
IUPAC Name2-[3-(2-methoxyethoxy)propyl-(pyrrolidin-2-ylmethyl)amino]ethanol
SMILESCOCCOCCCN(CCO)CC1CCCN1
InChIInChI=1S/C13H28N2O3/c1-17-10-11-18-9-3-6-15(7-8-16)12-13-4-2-5-14-13/h13-14,16H,2-12H2,1H3
InChIKeyFMBXZVKMRKCSIT-UHFFFAOYSA-N
XLogP0.09
TPSA53.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine
CID 106616773
3-methoxy-N-(2-methoxyethyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]propan-1-amine
CID 102819399
N-[2-(2-methoxyethoxy)ethyl]-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106617190
2-[2-(dimethylamino)ethyl-(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106618094
N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)nonan-1-amine
CID 106617543
5-fluoro-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)pentan-1-amine
CID 114280319
N-(azepan-2-ylmethyl)-2-methoxy-N-(2-methoxyethyl)ethanamine
CID 64569967
N-[2-(3-methoxypropoxy)ethyl]-N-(piperidin-2-ylmethyl)propan-1-amine
CID 106635937
N'-(2-methoxyethyl)-N,N-dimethyl-N'-(pyrrolidin-2-ylmethyl)ethane-1,2-diamine
CID 106617601
N,N-diethyl-N'-(2-methoxyethyl)-N'-(pyrrolidin-2-ylmethyl)ethane-1,2-diamine
CID 106617646
N-[2-(2-methoxyethoxy)ethyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine
CID 106614604
3-methoxy-N-methyl-N-[[(2R)-pyrrolidin-2-yl]methyl]propan-1-amine
CID 102819506

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methoxyethoxy)propyl-(pyrrolidin-2-ylmethyl)amino]ethanol?
The IUPAC name of 2-[3-(2-methoxyethoxy)propyl-(pyrrolidin-2-ylmethyl)amino]ethanol (CID 106618388) is 2-[3-(2-methoxyethoxy)propyl-(pyrrolidin-2-ylmethyl)amino]ethanol.
What is the SMILES notation for 2-[3-(2-methoxyethoxy)propyl-(pyrrolidin-2-ylmethyl)amino]ethanol?
The canonical SMILES for 2-[3-(2-methoxyethoxy)propyl-(pyrrolidin-2-ylmethyl)amino]ethanol is COCCOCCCN(CCO)CC1CCCN1.
What is the InChIKey of 2-[3-(2-methoxyethoxy)propyl-(pyrrolidin-2-ylmethyl)amino]ethanol?
The InChIKey is FMBXZVKMRKCSIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O3/c1-17-10-11-18-9-3-6-15(7-8-16)12-13-4-2-5-14-13/h13-14,16H,2-12H2,1H3.
What are the key properties of 2-[3-(2-methoxyethoxy)propyl-(pyrrolidin-2-ylmethyl)amino]ethanol?
2-[3-(2-methoxyethoxy)propyl-(pyrrolidin-2-ylmethyl)amino]ethanol has a molecular weight of 260.38 g/mol, XLogP of 0.09, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methoxyethoxy)propyl-(pyrrolidin-2-ylmethyl)amino]ethanol is sourced from PubChem (CID 106618388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).