2-[2-[[6-[(cyclopropylamino)methyl]-3-pyridinyl]oxy]ethoxy]ethanol

C13H20N2O3 — CID 79781914

IUPAC2-[2-[[6-[(cyclopropylamino)methyl]-3-pyridinyl]oxy]ethoxy]ethanol
SMILESOCCOCCOc1ccc(CNC2CC2)nc1
InChIInChI=1S/C13H20N2O3/c16-5-6-17-7-8-18-13-4-3-12(15-10-13)9-14-11-1-2-11/h3-4,10-11,14,16H,1-2,5-9H2
InChIKeyDYHOQURHNWKGDO-UHFFFAOYSA-N
MW252.31 g/mol
LogP0.72
Rot. Bonds9

About 2-[2-[[6-[(cyclopropylamino)methyl]-3-pyridinyl]oxy]ethoxy]ethanol

2-[2-[[6-[(cyclopropylamino)methyl]-3-pyridinyl]oxy]ethoxy]ethanol (PubChem CID 79781914) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 2-[2-[[6-[(cyclopropylamino)methyl]-3-pyridinyl]oxy]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[[6-[(cyclopropylamino)methyl]-3-pyridinyl]oxy]ethoxy]ethanol
PubChem CID79781914
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name2-[2-[[6-[(cyclopropylamino)methyl]-3-pyridinyl]oxy]ethoxy]ethanol
SMILESOCCOCCOc1ccc(CNC2CC2)nc1
InChIInChI=1S/C13H20N2O3/c16-5-6-17-7-8-18-13-4-3-12(15-10-13)9-14-11-1-2-11/h3-4,10-11,14,16H,1-2,5-9H2
InChIKeyDYHOQURHNWKGDO-UHFFFAOYSA-N
XLogP0.72
TPSA63.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 50.72
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

3-[[6-[(cyclopropylamino)methyl]-3-pyridinyl]oxy]-N-methylpropanamide
CID 79781169
N-[(5-ethoxy-2-pyridinyl)methyl]cyclopropanamine
CID 79782890
2-[[6-[(cyclopropylamino)methyl]-3-pyridinyl]oxy]acetamide
CID 79784048
N-[[5-(2-methylprop-2-enoxy)-2-pyridinyl]methyl]cyclopropanamine
CID 79783844
N-[[5-(3-pyrrolidin-1-ylpropoxy)-2-pyridinyl]methyl]cyclopropanamine
CID 79783048
N-[[5-(3-methylsulfonylpropoxy)-2-pyridinyl]methyl]cyclopropanamine
CID 79783246
2-[[6-[(cyclopropylamino)methyl]-3-pyridinyl]oxy]cyclopentan-1-ol
CID 79781338
N-[[5-(1,3-thiazol-4-ylmethoxy)-2-pyridinyl]methyl]cyclopropanamine
CID 79781522
N-[[5-[(3,5-difluorophenyl)methoxy]-2-pyridinyl]methyl]cyclopropanamine
CID 105402634
1-[2-[[6-[(cyclopropylamino)methyl]-3-pyridinyl]oxy]ethyl]pyridin-2-one
CID 82898570
N-[[5-[(2-chlorophenyl)methoxy]-2-pyridinyl]methyl]cyclopropanamine
CID 79783243
2-[2-[2-[2-[2-[4-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 102253711

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[6-[(cyclopropylamino)methyl]-3-pyridinyl]oxy]ethoxy]ethanol?
The IUPAC name of 2-[2-[[6-[(cyclopropylamino)methyl]-3-pyridinyl]oxy]ethoxy]ethanol (CID 79781914) is 2-[2-[[6-[(cyclopropylamino)methyl]-3-pyridinyl]oxy]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[[6-[(cyclopropylamino)methyl]-3-pyridinyl]oxy]ethoxy]ethanol?
The canonical SMILES for 2-[2-[[6-[(cyclopropylamino)methyl]-3-pyridinyl]oxy]ethoxy]ethanol is OCCOCCOc1ccc(CNC2CC2)nc1.
What is the InChIKey of 2-[2-[[6-[(cyclopropylamino)methyl]-3-pyridinyl]oxy]ethoxy]ethanol?
The InChIKey is DYHOQURHNWKGDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c16-5-6-17-7-8-18-13-4-3-12(15-10-13)9-14-11-1-2-11/h3-4,10-11,14,16H,1-2,5-9H2.
What are the key properties of 2-[2-[[6-[(cyclopropylamino)methyl]-3-pyridinyl]oxy]ethoxy]ethanol?
2-[2-[[6-[(cyclopropylamino)methyl]-3-pyridinyl]oxy]ethoxy]ethanol has a molecular weight of 252.31 g/mol, XLogP of 0.72, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[6-[(cyclopropylamino)methyl]-3-pyridinyl]oxy]ethoxy]ethanol is sourced from PubChem (CID 79781914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).