6-chloro-3-(methoxymethyl)-N-(4-methoxyphenyl)-N-methylpyridin-2-amine

C15H17ClN2O2 — CID 71523843

IUPAC6-chloro-3-(methoxymethyl)-N-(4-methoxyphenyl)-N-methylpyridin-2-amine
SMILESCOCc1ccc(Cl)nc1N(C)c1ccc(OC)cc1
InChIInChI=1S/C15H17ClN2O2/c1-18(12-5-7-13(20-3)8-6-12)15-11(10-19-2)4-9-14(16)17-15/h4-9H,10H2,1-3H3
InChIKeyXWMHCMVQJIVVDD-UHFFFAOYSA-N
MW292.77 g/mol
LogP3.66
Rot. Bonds5

About 6-chloro-3-(methoxymethyl)-N-(4-methoxyphenyl)-N-methylpyridin-2-amine

6-chloro-3-(methoxymethyl)-N-(4-methoxyphenyl)-N-methylpyridin-2-amine (PubChem CID 71523843) has the molecular formula C15H17ClN2O2 and a molecular weight of 292.77 g/mol. Its IUPAC name is 6-chloro-3-(methoxymethyl)-N-(4-methoxyphenyl)-N-methylpyridin-2-amine.

Molecular Properties

Compound Name6-chloro-3-(methoxymethyl)-N-(4-methoxyphenyl)-N-methylpyridin-2-amine
PubChem CID71523843
Molecular FormulaC15H17ClN2O2
Molecular Weight292.77 g/mol
Exact Mass292.10
IUPAC Name6-chloro-3-(methoxymethyl)-N-(4-methoxyphenyl)-N-methylpyridin-2-amine
SMILESCOCc1ccc(Cl)nc1N(C)c1ccc(OC)cc1
InChIInChI=1S/C15H17ClN2O2/c1-18(12-5-7-13(20-3)8-6-12)15-11(10-19-2)4-9-14(16)17-15/h4-9H,10H2,1-3H3
InChIKeyXWMHCMVQJIVVDD-UHFFFAOYSA-N
XLogP3.66
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(methoxymethyl)-N-(4-methoxyphenyl)-N-methylpyridin-2-amine?
The IUPAC name of 6-chloro-3-(methoxymethyl)-N-(4-methoxyphenyl)-N-methylpyridin-2-amine (CID 71523843) is 6-chloro-3-(methoxymethyl)-N-(4-methoxyphenyl)-N-methylpyridin-2-amine.
What is the SMILES notation for 6-chloro-3-(methoxymethyl)-N-(4-methoxyphenyl)-N-methylpyridin-2-amine?
The canonical SMILES for 6-chloro-3-(methoxymethyl)-N-(4-methoxyphenyl)-N-methylpyridin-2-amine is COCc1ccc(Cl)nc1N(C)c1ccc(OC)cc1.
What is the InChIKey of 6-chloro-3-(methoxymethyl)-N-(4-methoxyphenyl)-N-methylpyridin-2-amine?
The InChIKey is XWMHCMVQJIVVDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2/c1-18(12-5-7-13(20-3)8-6-12)15-11(10-19-2)4-9-14(16)17-15/h4-9H,10H2,1-3H3.
What are the key properties of 6-chloro-3-(methoxymethyl)-N-(4-methoxyphenyl)-N-methylpyridin-2-amine?
6-chloro-3-(methoxymethyl)-N-(4-methoxyphenyl)-N-methylpyridin-2-amine has a molecular weight of 292.77 g/mol, XLogP of 3.66, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(methoxymethyl)-N-(4-methoxyphenyl)-N-methylpyridin-2-amine is sourced from PubChem (CID 71523843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).