[6-(4-chlorophenoxy)-5-methyl-3-pyridinyl]methanamine

C13H13ClN2O — CID 80636134

IUPAC[6-(4-chlorophenoxy)-5-methyl-3-pyridinyl]methanamine
SMILESCc1cc(CN)cnc1Oc1ccc(Cl)cc1
InChIInChI=1S/C13H13ClN2O/c1-9-6-10(7-15)8-16-13(9)17-12-4-2-11(14)3-5-12/h2-6,8H,7,15H2,1H3
InChIKeyRQAYWLCUYWIEEX-UHFFFAOYSA-N
MW248.71 g/mol
LogP3.29
Rot. Bonds3

About [6-(4-chlorophenoxy)-5-methyl-3-pyridinyl]methanamine

[6-(4-chlorophenoxy)-5-methyl-3-pyridinyl]methanamine (PubChem CID 80636134) has the molecular formula C13H13ClN2O and a molecular weight of 248.71 g/mol. Its IUPAC name is [6-(4-chlorophenoxy)-5-methyl-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[6-(4-chlorophenoxy)-5-methyl-3-pyridinyl]methanamine
PubChem CID80636134
Molecular FormulaC13H13ClN2O
Molecular Weight248.71 g/mol
Exact Mass248.07
IUPAC Name[6-(4-chlorophenoxy)-5-methyl-3-pyridinyl]methanamine
SMILESCc1cc(CN)cnc1Oc1ccc(Cl)cc1
InChIInChI=1S/C13H13ClN2O/c1-9-6-10(7-15)8-16-13(9)17-12-4-2-11(14)3-5-12/h2-6,8H,7,15H2,1H3
InChIKeyRQAYWLCUYWIEEX-UHFFFAOYSA-N
XLogP3.29
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.71
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [6-(4-chlorophenoxy)-5-methyl-3-pyridinyl]methanamine?
The IUPAC name of [6-(4-chlorophenoxy)-5-methyl-3-pyridinyl]methanamine (CID 80636134) is [6-(4-chlorophenoxy)-5-methyl-3-pyridinyl]methanamine.
What is the SMILES notation for [6-(4-chlorophenoxy)-5-methyl-3-pyridinyl]methanamine?
The canonical SMILES for [6-(4-chlorophenoxy)-5-methyl-3-pyridinyl]methanamine is Cc1cc(CN)cnc1Oc1ccc(Cl)cc1.
What is the InChIKey of [6-(4-chlorophenoxy)-5-methyl-3-pyridinyl]methanamine?
The InChIKey is RQAYWLCUYWIEEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O/c1-9-6-10(7-15)8-16-13(9)17-12-4-2-11(14)3-5-12/h2-6,8H,7,15H2,1H3.
What are the key properties of [6-(4-chlorophenoxy)-5-methyl-3-pyridinyl]methanamine?
[6-(4-chlorophenoxy)-5-methyl-3-pyridinyl]methanamine has a molecular weight of 248.71 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-chlorophenoxy)-5-methyl-3-pyridinyl]methanamine is sourced from PubChem (CID 80636134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).