2-[[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]methyl-cyclopropylamino]ethanol

C18H21ClN2O2 — CID 110899734

IUPAC2-[[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]methyl-cyclopropylamino]ethanol
SMILESOCCN(Cc1cc(Cl)ccc1OCc1cccnc1)C1CC1
InChIInChI=1S/C18H21ClN2O2/c19-16-3-6-18(23-13-14-2-1-7-20-11-14)15(10-16)12-21(8-9-22)17-4-5-17/h1-3,6-7,10-11,17,22H,4-5,8-9,12-13H2
InChIKeyZHZXFISRXZUCHZ-UHFFFAOYSA-N
MW332.83 g/mol
LogP3.27
Rot. Bonds8

About 2-[[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]methyl-cyclopropylamino]ethanol

2-[[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]methyl-cyclopropylamino]ethanol (PubChem CID 110899734) has the molecular formula C18H21ClN2O2 and a molecular weight of 332.83 g/mol. Its IUPAC name is 2-[[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]methyl-cyclopropylamino]ethanol.

Molecular Properties

Compound Name2-[[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]methyl-cyclopropylamino]ethanol
PubChem CID110899734
Molecular FormulaC18H21ClN2O2
Molecular Weight332.83 g/mol
Exact Mass332.13
IUPAC Name2-[[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]methyl-cyclopropylamino]ethanol
SMILESOCCN(Cc1cc(Cl)ccc1OCc1cccnc1)C1CC1
InChIInChI=1S/C18H21ClN2O2/c19-16-3-6-18(23-13-14-2-1-7-20-11-14)15(10-16)12-21(8-9-22)17-4-5-17/h1-3,6-7,10-11,17,22H,4-5,8-9,12-13H2
InChIKeyZHZXFISRXZUCHZ-UHFFFAOYSA-N
XLogP3.27
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.83
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]methyl-cyclopropylamino]ethanol?
The IUPAC name of 2-[[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]methyl-cyclopropylamino]ethanol (CID 110899734) is 2-[[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]methyl-cyclopropylamino]ethanol.
What is the SMILES notation for 2-[[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]methyl-cyclopropylamino]ethanol?
The canonical SMILES for 2-[[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]methyl-cyclopropylamino]ethanol is OCCN(Cc1cc(Cl)ccc1OCc1cccnc1)C1CC1.
What is the InChIKey of 2-[[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]methyl-cyclopropylamino]ethanol?
The InChIKey is ZHZXFISRXZUCHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O2/c19-16-3-6-18(23-13-14-2-1-7-20-11-14)15(10-16)12-21(8-9-22)17-4-5-17/h1-3,6-7,10-11,17,22H,4-5,8-9,12-13H2.
What are the key properties of 2-[[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]methyl-cyclopropylamino]ethanol?
2-[[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]methyl-cyclopropylamino]ethanol has a molecular weight of 332.83 g/mol, XLogP of 3.27, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]methyl-cyclopropylamino]ethanol is sourced from PubChem (CID 110899734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).