2-[(4-chloro-2-pyridinyl)methyl-cyclopropylamino]ethanol

C11H15ClN2O — CID 79255170

IUPAC2-[(4-chloro-2-pyridinyl)methyl-cyclopropylamino]ethanol
SMILESOCCN(Cc1cc(Cl)ccn1)C1CC1
InChIInChI=1S/C11H15ClN2O/c12-9-3-4-13-10(7-9)8-14(5-6-15)11-1-2-11/h3-4,7,11,15H,1-2,5-6,8H2
InChIKeyDBSYNFWRASZMMV-UHFFFAOYSA-N
MW226.71 g/mol
LogP1.69
Rot. Bonds5

About 2-[(4-chloro-2-pyridinyl)methyl-cyclopropylamino]ethanol

2-[(4-chloro-2-pyridinyl)methyl-cyclopropylamino]ethanol (PubChem CID 79255170) has the molecular formula C11H15ClN2O and a molecular weight of 226.71 g/mol. Its IUPAC name is 2-[(4-chloro-2-pyridinyl)methyl-cyclopropylamino]ethanol.

Molecular Properties

Compound Name2-[(4-chloro-2-pyridinyl)methyl-cyclopropylamino]ethanol
PubChem CID79255170
Molecular FormulaC11H15ClN2O
Molecular Weight226.71 g/mol
Exact Mass226.09
IUPAC Name2-[(4-chloro-2-pyridinyl)methyl-cyclopropylamino]ethanol
SMILESOCCN(Cc1cc(Cl)ccn1)C1CC1
InChIInChI=1S/C11H15ClN2O/c12-9-3-4-13-10(7-9)8-14(5-6-15)11-1-2-11/h3-4,7,11,15H,1-2,5-6,8H2
InChIKeyDBSYNFWRASZMMV-UHFFFAOYSA-N
XLogP1.69
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.71
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-2-pyridinyl)methyl-cyclopropylamino]ethanol?
The IUPAC name of 2-[(4-chloro-2-pyridinyl)methyl-cyclopropylamino]ethanol (CID 79255170) is 2-[(4-chloro-2-pyridinyl)methyl-cyclopropylamino]ethanol.
What is the SMILES notation for 2-[(4-chloro-2-pyridinyl)methyl-cyclopropylamino]ethanol?
The canonical SMILES for 2-[(4-chloro-2-pyridinyl)methyl-cyclopropylamino]ethanol is OCCN(Cc1cc(Cl)ccn1)C1CC1.
What is the InChIKey of 2-[(4-chloro-2-pyridinyl)methyl-cyclopropylamino]ethanol?
The InChIKey is DBSYNFWRASZMMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O/c12-9-3-4-13-10(7-9)8-14(5-6-15)11-1-2-11/h3-4,7,11,15H,1-2,5-6,8H2.
What are the key properties of 2-[(4-chloro-2-pyridinyl)methyl-cyclopropylamino]ethanol?
2-[(4-chloro-2-pyridinyl)methyl-cyclopropylamino]ethanol has a molecular weight of 226.71 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-2-pyridinyl)methyl-cyclopropylamino]ethanol is sourced from PubChem (CID 79255170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).