3-[(5-chloro-2-pyridinyl)oxy]cyclohexan-1-amine

C11H15ClN2O — CID 79465841

IUPAC3-[(5-chloro-2-pyridinyl)oxy]cyclohexan-1-amine
SMILESNC1CCCC(Oc2ccc(Cl)cn2)C1
InChIInChI=1S/C11H15ClN2O/c12-8-4-5-11(14-7-8)15-10-3-1-2-9(13)6-10/h4-5,7,9-10H,1-3,6,13H2
InChIKeyXGAGBCKSYWKWRH-UHFFFAOYSA-N
MW226.71 g/mol
LogP2.38
Rot. Bonds2

About 3-[(5-chloro-2-pyridinyl)oxy]cyclohexan-1-amine

3-[(5-chloro-2-pyridinyl)oxy]cyclohexan-1-amine (PubChem CID 79465841) has the molecular formula C11H15ClN2O and a molecular weight of 226.71 g/mol. Its IUPAC name is 3-[(5-chloro-2-pyridinyl)oxy]cyclohexan-1-amine.

Molecular Properties

Compound Name3-[(5-chloro-2-pyridinyl)oxy]cyclohexan-1-amine
PubChem CID79465841
Molecular FormulaC11H15ClN2O
Molecular Weight226.71 g/mol
Exact Mass226.09
IUPAC Name3-[(5-chloro-2-pyridinyl)oxy]cyclohexan-1-amine
SMILESNC1CCCC(Oc2ccc(Cl)cn2)C1
InChIInChI=1S/C11H15ClN2O/c12-8-4-5-11(14-7-8)15-10-3-1-2-9(13)6-10/h4-5,7,9-10H,1-3,6,13H2
InChIKeyXGAGBCKSYWKWRH-UHFFFAOYSA-N
XLogP2.38
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.71
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloro-2-pyridinyl)oxy]cyclohexan-1-amine?
The IUPAC name of 3-[(5-chloro-2-pyridinyl)oxy]cyclohexan-1-amine (CID 79465841) is 3-[(5-chloro-2-pyridinyl)oxy]cyclohexan-1-amine.
What is the SMILES notation for 3-[(5-chloro-2-pyridinyl)oxy]cyclohexan-1-amine?
The canonical SMILES for 3-[(5-chloro-2-pyridinyl)oxy]cyclohexan-1-amine is NC1CCCC(Oc2ccc(Cl)cn2)C1.
What is the InChIKey of 3-[(5-chloro-2-pyridinyl)oxy]cyclohexan-1-amine?
The InChIKey is XGAGBCKSYWKWRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O/c12-8-4-5-11(14-7-8)15-10-3-1-2-9(13)6-10/h4-5,7,9-10H,1-3,6,13H2.
What are the key properties of 3-[(5-chloro-2-pyridinyl)oxy]cyclohexan-1-amine?
3-[(5-chloro-2-pyridinyl)oxy]cyclohexan-1-amine has a molecular weight of 226.71 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chloro-2-pyridinyl)oxy]cyclohexan-1-amine is sourced from PubChem (CID 79465841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).