[6-(4-chloro-2,6-dimethylphenoxy)-2-pyridinyl]methanamine

C14H15ClN2O — CID 62296897

IUPAC[6-(4-chloro-2,6-dimethylphenoxy)-2-pyridinyl]methanamine
SMILESCc1cc(Cl)cc(C)c1Oc1cccc(CN)n1
InChIInChI=1S/C14H15ClN2O/c1-9-6-11(15)7-10(2)14(9)18-13-5-3-4-12(8-16)17-13/h3-7H,8,16H2,1-2H3
InChIKeyAOPWDWQPKHFYBB-UHFFFAOYSA-N
MW262.74 g/mol
LogP3.60
Rot. Bonds3

About [6-(4-chloro-2,6-dimethylphenoxy)-2-pyridinyl]methanamine

[6-(4-chloro-2,6-dimethylphenoxy)-2-pyridinyl]methanamine (PubChem CID 62296897) has the molecular formula C14H15ClN2O and a molecular weight of 262.74 g/mol. Its IUPAC name is [6-(4-chloro-2,6-dimethylphenoxy)-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[6-(4-chloro-2,6-dimethylphenoxy)-2-pyridinyl]methanamine
PubChem CID62296897
Molecular FormulaC14H15ClN2O
Molecular Weight262.74 g/mol
Exact Mass262.09
IUPAC Name[6-(4-chloro-2,6-dimethylphenoxy)-2-pyridinyl]methanamine
SMILESCc1cc(Cl)cc(C)c1Oc1cccc(CN)n1
InChIInChI=1S/C14H15ClN2O/c1-9-6-11(15)7-10(2)14(9)18-13-5-3-4-12(8-16)17-13/h3-7H,8,16H2,1-2H3
InChIKeyAOPWDWQPKHFYBB-UHFFFAOYSA-N
XLogP3.60
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [6-(4-chloro-2,6-dimethylphenoxy)-2-pyridinyl]methanamine?
The IUPAC name of [6-(4-chloro-2,6-dimethylphenoxy)-2-pyridinyl]methanamine (CID 62296897) is [6-(4-chloro-2,6-dimethylphenoxy)-2-pyridinyl]methanamine.
What is the SMILES notation for [6-(4-chloro-2,6-dimethylphenoxy)-2-pyridinyl]methanamine?
The canonical SMILES for [6-(4-chloro-2,6-dimethylphenoxy)-2-pyridinyl]methanamine is Cc1cc(Cl)cc(C)c1Oc1cccc(CN)n1.
What is the InChIKey of [6-(4-chloro-2,6-dimethylphenoxy)-2-pyridinyl]methanamine?
The InChIKey is AOPWDWQPKHFYBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O/c1-9-6-11(15)7-10(2)14(9)18-13-5-3-4-12(8-16)17-13/h3-7H,8,16H2,1-2H3.
What are the key properties of [6-(4-chloro-2,6-dimethylphenoxy)-2-pyridinyl]methanamine?
[6-(4-chloro-2,6-dimethylphenoxy)-2-pyridinyl]methanamine has a molecular weight of 262.74 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-chloro-2,6-dimethylphenoxy)-2-pyridinyl]methanamine is sourced from PubChem (CID 62296897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).