1-(3,5-dimethylphenyl)-1-(5-ethoxy-3-pyridinyl)-N-methylmethanamine

C17H22N2O — CID 105026319

IUPAC1-(3,5-dimethylphenyl)-1-(5-ethoxy-3-pyridinyl)-N-methylmethanamine
SMILESCCOc1cncc(C(NC)c2cc(C)cc(C)c2)c1
InChIInChI=1S/C17H22N2O/c1-5-20-16-9-15(10-19-11-16)17(18-4)14-7-12(2)6-13(3)8-14/h6-11,17-18H,5H2,1-4H3
InChIKeyQWTVKUXPUVVDND-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.41
Rot. Bonds5

About 1-(3,5-dimethylphenyl)-1-(5-ethoxy-3-pyridinyl)-N-methylmethanamine

1-(3,5-dimethylphenyl)-1-(5-ethoxy-3-pyridinyl)-N-methylmethanamine (PubChem CID 105026319) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-1-(5-ethoxy-3-pyridinyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-1-(5-ethoxy-3-pyridinyl)-N-methylmethanamine
PubChem CID105026319
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name1-(3,5-dimethylphenyl)-1-(5-ethoxy-3-pyridinyl)-N-methylmethanamine
SMILESCCOc1cncc(C(NC)c2cc(C)cc(C)c2)c1
InChIInChI=1S/C17H22N2O/c1-5-20-16-9-15(10-19-11-16)17(18-4)14-7-12(2)6-13(3)8-14/h6-11,17-18H,5H2,1-4H3
InChIKeyQWTVKUXPUVVDND-UHFFFAOYSA-N
XLogP3.41
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 ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,5-dimethylphenyl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine
CID 105026730
1-(4-bromo-3-fluorophenyl)-1-(5-ethoxy-3-pyridinyl)-N-methylmethanamine
CID 105026336
1-(3-chloro-4-iodophenyl)-1-(5-ethoxy-3-pyridinyl)-N-methylmethanamine
CID 103216066
1-(5-ethoxy-3-pyridinyl)-2,2-difluoro-N-methylethanamine
CID 103517001
1-(2,5-dichlorothiophen-3-yl)-1-(5-ethoxy-3-pyridinyl)-N-methylmethanamine
CID 107968897
[(3,5-dimethyl-2-pyridinyl)-(5-ethoxy-3-pyridinyl)methyl]hydrazine
CID 105266409
1-(3,5-dichlorophenyl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine
CID 105026931
[(3,5-dichlorophenyl)-(5-ethoxy-3-pyridinyl)methyl]hydrazine
CID 105329954
1-(5-ethoxy-3-pyridinyl)-1-(6-methoxypyridazin-3-yl)-N-methylmethanamine
CID 103374323
[(2-bromo-5-methylphenyl)-(5-ethoxy-3-pyridinyl)methyl]hydrazine
CID 105330014
N-[(2-bromo-5-methylphenyl)-(5-ethoxy-3-pyridinyl)methyl]ethanamine
CID 105026416
1-(3,4-dimethylphenyl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine
CID 105026781

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-1-(5-ethoxy-3-pyridinyl)-N-methylmethanamine?
The IUPAC name of 1-(3,5-dimethylphenyl)-1-(5-ethoxy-3-pyridinyl)-N-methylmethanamine (CID 105026319) is 1-(3,5-dimethylphenyl)-1-(5-ethoxy-3-pyridinyl)-N-methylmethanamine.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-1-(5-ethoxy-3-pyridinyl)-N-methylmethanamine?
The canonical SMILES for 1-(3,5-dimethylphenyl)-1-(5-ethoxy-3-pyridinyl)-N-methylmethanamine is CCOc1cncc(C(NC)c2cc(C)cc(C)c2)c1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-1-(5-ethoxy-3-pyridinyl)-N-methylmethanamine?
The InChIKey is QWTVKUXPUVVDND-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-5-20-16-9-15(10-19-11-16)17(18-4)14-7-12(2)6-13(3)8-14/h6-11,17-18H,5H2,1-4H3.
What are the key properties of 1-(3,5-dimethylphenyl)-1-(5-ethoxy-3-pyridinyl)-N-methylmethanamine?
1-(3,5-dimethylphenyl)-1-(5-ethoxy-3-pyridinyl)-N-methylmethanamine has a molecular weight of 270.38 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-1-(5-ethoxy-3-pyridinyl)-N-methylmethanamine is sourced from PubChem (CID 105026319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).