1-(2-methoxy-4,6-dimethylphenyl)-N-methyl-2-pyridin-2-ylethanamine

C17H22N2O — CID 106680429

IUPAC1-(2-methoxy-4,6-dimethylphenyl)-N-methyl-2-pyridin-2-ylethanamine
SMILESCNC(Cc1ccccn1)c1c(C)cc(C)cc1OC
InChIInChI=1S/C17H22N2O/c1-12-9-13(2)17(16(10-12)20-4)15(18-3)11-14-7-5-6-8-19-14/h5-10,15,18H,11H2,1-4H3
InChIKeyJBXATRRMSACNEW-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.21
Rot. Bonds5

About 1-(2-methoxy-4,6-dimethylphenyl)-N-methyl-2-pyridin-2-ylethanamine

1-(2-methoxy-4,6-dimethylphenyl)-N-methyl-2-pyridin-2-ylethanamine (PubChem CID 106680429) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 1-(2-methoxy-4,6-dimethylphenyl)-N-methyl-2-pyridin-2-ylethanamine.

Molecular Properties

Compound Name1-(2-methoxy-4,6-dimethylphenyl)-N-methyl-2-pyridin-2-ylethanamine
PubChem CID106680429
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name1-(2-methoxy-4,6-dimethylphenyl)-N-methyl-2-pyridin-2-ylethanamine
SMILESCNC(Cc1ccccn1)c1c(C)cc(C)cc1OC
InChIInChI=1S/C17H22N2O/c1-12-9-13(2)17(16(10-12)20-4)15(18-3)11-14-7-5-6-8-19-14/h5-10,15,18H,11H2,1-4H3
InChIKeyJBXATRRMSACNEW-UHFFFAOYSA-N
XLogP3.21
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methoxy-4,6-dimethylphenyl)-2-pyridin-2-ylethanol
CID 106680148
[1-(2-methoxy-4,6-dimethylphenyl)-3-pyridin-2-ylpropyl]hydrazine
CID 106682947
1-(3,5-dimethylphenyl)-N-methyl-2-pyridin-2-ylethanamine
CID 54936986
1-(2-methoxy-4,6-dimethylphenyl)-N-methyl-2-phenoxyethanamine
CID 106680529
1-(2-fluoro-4,6-dimethylphenyl)-N-methyl-3-pyridin-2-ylpropan-1-amine
CID 106883930
N-methyl-1-(2-methylphenyl)-2-pyridin-2-ylethanamine
CID 60818162
1-(2-fluoro-3-methoxyphenyl)-N-methyl-2-pyridin-2-ylethanamine
CID 82808005
1-(2-methoxy-4,6-dimethylphenyl)-N-methyl-1-(3-methyl-2-pyridinyl)methanamine
CID 106680494
1-(2-methoxy-5-methylphenyl)-N-methyl-3-pyridin-2-ylpropan-2-amine
CID 62160862
1-(2-fluoro-4,6-dimethylphenyl)-2-(2-methoxyphenyl)-N-methylethanamine
CID 106881379
(1R)-1-(2-methoxy-4,6-dimethylphenyl)-N-methylethanamine
CID 96670588
N'-ethyl-1-(2-methoxy-4,6-dimethylphenyl)-N-methylethane-1,2-diamine
CID 116950363

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-4,6-dimethylphenyl)-N-methyl-2-pyridin-2-ylethanamine?
The IUPAC name of 1-(2-methoxy-4,6-dimethylphenyl)-N-methyl-2-pyridin-2-ylethanamine (CID 106680429) is 1-(2-methoxy-4,6-dimethylphenyl)-N-methyl-2-pyridin-2-ylethanamine.
What is the SMILES notation for 1-(2-methoxy-4,6-dimethylphenyl)-N-methyl-2-pyridin-2-ylethanamine?
The canonical SMILES for 1-(2-methoxy-4,6-dimethylphenyl)-N-methyl-2-pyridin-2-ylethanamine is CNC(Cc1ccccn1)c1c(C)cc(C)cc1OC.
What is the InChIKey of 1-(2-methoxy-4,6-dimethylphenyl)-N-methyl-2-pyridin-2-ylethanamine?
The InChIKey is JBXATRRMSACNEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-12-9-13(2)17(16(10-12)20-4)15(18-3)11-14-7-5-6-8-19-14/h5-10,15,18H,11H2,1-4H3.
What are the key properties of 1-(2-methoxy-4,6-dimethylphenyl)-N-methyl-2-pyridin-2-ylethanamine?
1-(2-methoxy-4,6-dimethylphenyl)-N-methyl-2-pyridin-2-ylethanamine has a molecular weight of 270.38 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-4,6-dimethylphenyl)-N-methyl-2-pyridin-2-ylethanamine is sourced from PubChem (CID 106680429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).