1-[3-chloro-6-(3,5-dimethoxyphenoxy)-2-pyridinyl]-N-methylmethanamine

C15H17ClN2O3 — CID 62297032

IUPAC1-[3-chloro-6-(3,5-dimethoxyphenoxy)-2-pyridinyl]-N-methylmethanamine
SMILESCNCc1nc(Oc2cc(OC)cc(OC)c2)ccc1Cl
InChIInChI=1S/C15H17ClN2O3/c1-17-9-14-13(16)4-5-15(18-14)21-12-7-10(19-2)6-11(8-12)20-3/h4-8,17H,9H2,1-3H3
InChIKeyIISDULGYUJXSBK-UHFFFAOYSA-N
MW308.77 g/mol
LogP3.26
Rot. Bonds6

About 1-[3-chloro-6-(3,5-dimethoxyphenoxy)-2-pyridinyl]-N-methylmethanamine

1-[3-chloro-6-(3,5-dimethoxyphenoxy)-2-pyridinyl]-N-methylmethanamine (PubChem CID 62297032) has the molecular formula C15H17ClN2O3 and a molecular weight of 308.77 g/mol. Its IUPAC name is 1-[3-chloro-6-(3,5-dimethoxyphenoxy)-2-pyridinyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-chloro-6-(3,5-dimethoxyphenoxy)-2-pyridinyl]-N-methylmethanamine
PubChem CID62297032
Molecular FormulaC15H17ClN2O3
Molecular Weight308.77 g/mol
Exact Mass308.09
IUPAC Name1-[3-chloro-6-(3,5-dimethoxyphenoxy)-2-pyridinyl]-N-methylmethanamine
SMILESCNCc1nc(Oc2cc(OC)cc(OC)c2)ccc1Cl
InChIInChI=1S/C15H17ClN2O3/c1-17-9-14-13(16)4-5-15(18-14)21-12-7-10(19-2)6-11(8-12)20-3/h4-8,17H,9H2,1-3H3
InChIKeyIISDULGYUJXSBK-UHFFFAOYSA-N
XLogP3.26
TPSA52.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.77
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-6-(3,5-dimethoxyphenoxy)-2-pyridinyl]-N-methylmethanamine?
The IUPAC name of 1-[3-chloro-6-(3,5-dimethoxyphenoxy)-2-pyridinyl]-N-methylmethanamine (CID 62297032) is 1-[3-chloro-6-(3,5-dimethoxyphenoxy)-2-pyridinyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-chloro-6-(3,5-dimethoxyphenoxy)-2-pyridinyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-chloro-6-(3,5-dimethoxyphenoxy)-2-pyridinyl]-N-methylmethanamine is CNCc1nc(Oc2cc(OC)cc(OC)c2)ccc1Cl.
What is the InChIKey of 1-[3-chloro-6-(3,5-dimethoxyphenoxy)-2-pyridinyl]-N-methylmethanamine?
The InChIKey is IISDULGYUJXSBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O3/c1-17-9-14-13(16)4-5-15(18-14)21-12-7-10(19-2)6-11(8-12)20-3/h4-8,17H,9H2,1-3H3.
What are the key properties of 1-[3-chloro-6-(3,5-dimethoxyphenoxy)-2-pyridinyl]-N-methylmethanamine?
1-[3-chloro-6-(3,5-dimethoxyphenoxy)-2-pyridinyl]-N-methylmethanamine has a molecular weight of 308.77 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-6-(3,5-dimethoxyphenoxy)-2-pyridinyl]-N-methylmethanamine is sourced from PubChem (CID 62297032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).