1-[6-(4-chlorophenoxy)-2-pyridinyl]-N-methylmethanamine

C13H13ClN2O — CID 62298182

IUPAC1-[6-(4-chlorophenoxy)-2-pyridinyl]-N-methylmethanamine
SMILESCNCc1cccc(Oc2ccc(Cl)cc2)n1
InChIInChI=1S/C13H13ClN2O/c1-15-9-11-3-2-4-13(16-11)17-12-7-5-10(14)6-8-12/h2-8,15H,9H2,1H3
InChIKeyPQLKYKAYJZMNAJ-UHFFFAOYSA-N
MW248.71 g/mol
LogP3.25
Rot. Bonds4

About 1-[6-(4-chlorophenoxy)-2-pyridinyl]-N-methylmethanamine

1-[6-(4-chlorophenoxy)-2-pyridinyl]-N-methylmethanamine (PubChem CID 62298182) has the molecular formula C13H13ClN2O and a molecular weight of 248.71 g/mol. Its IUPAC name is 1-[6-(4-chlorophenoxy)-2-pyridinyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[6-(4-chlorophenoxy)-2-pyridinyl]-N-methylmethanamine
PubChem CID62298182
Molecular FormulaC13H13ClN2O
Molecular Weight248.71 g/mol
Exact Mass248.07
IUPAC Name1-[6-(4-chlorophenoxy)-2-pyridinyl]-N-methylmethanamine
SMILESCNCc1cccc(Oc2ccc(Cl)cc2)n1
InChIInChI=1S/C13H13ClN2O/c1-15-9-11-3-2-4-13(16-11)17-12-7-5-10(14)6-8-12/h2-8,15H,9H2,1H3
InChIKeyPQLKYKAYJZMNAJ-UHFFFAOYSA-N
XLogP3.25
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.71
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[6-(4-ethylphenoxy)-2-pyridinyl]-N-methylmethanamine
CID 62298335
N-methyl-1-[6-(4-methylsulfanylphenoxy)-2-pyridinyl]methanamine
CID 55244628
1-[6-(3,5-dimethylphenoxy)-2-pyridinyl]-N-methylmethanamine
CID 55058939
1-[6-(2,3-dichlorophenoxy)-2-pyridinyl]-N-methylmethanamine
CID 62296347
2-(4-chlorophenoxy)-6-methylpyridine;ethane
CID 168898019
N-[[6-(3-chloro-4-fluorophenoxy)-2-pyridinyl]methyl]ethanamine
CID 55257457
1-[6-[(4-methoxyphenyl)methoxy]-2-pyridinyl]-N-methylmethanamine
CID 62291688
1-[2-(4-chlorophenoxy)quinolin-4-yl]-N-methylmethanamine
CID 62297834
6-(4-chlorophenoxy)pyridin-2-amine
CID 80652816
N-[[6-(3-chlorophenoxy)-2-pyridinyl]methyl]ethanamine
CID 62323929
1-[6-(2-methoxyethoxy)-2-pyridinyl]-N-methylmethanamine
CID 62292157
N-[[6-(3-chlorophenoxy)-2-pyridinyl]methyl]-2-methylpropan-2-amine
CID 62322346

Frequently Asked Questions

What is the IUPAC name of 1-[6-(4-chlorophenoxy)-2-pyridinyl]-N-methylmethanamine?
The IUPAC name of 1-[6-(4-chlorophenoxy)-2-pyridinyl]-N-methylmethanamine (CID 62298182) is 1-[6-(4-chlorophenoxy)-2-pyridinyl]-N-methylmethanamine.
What is the SMILES notation for 1-[6-(4-chlorophenoxy)-2-pyridinyl]-N-methylmethanamine?
The canonical SMILES for 1-[6-(4-chlorophenoxy)-2-pyridinyl]-N-methylmethanamine is CNCc1cccc(Oc2ccc(Cl)cc2)n1.
What is the InChIKey of 1-[6-(4-chlorophenoxy)-2-pyridinyl]-N-methylmethanamine?
The InChIKey is PQLKYKAYJZMNAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O/c1-15-9-11-3-2-4-13(16-11)17-12-7-5-10(14)6-8-12/h2-8,15H,9H2,1H3.
What are the key properties of 1-[6-(4-chlorophenoxy)-2-pyridinyl]-N-methylmethanamine?
1-[6-(4-chlorophenoxy)-2-pyridinyl]-N-methylmethanamine has a molecular weight of 248.71 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(4-chlorophenoxy)-2-pyridinyl]-N-methylmethanamine is sourced from PubChem (CID 62298182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).