N-[(2,3-dimethylphenyl)-(5-methoxy-3-pyridinyl)methyl]ethanamine

C17H22N2O — CID 105025837

IUPACN-[(2,3-dimethylphenyl)-(5-methoxy-3-pyridinyl)methyl]ethanamine
SMILESCCNC(c1cncc(OC)c1)c1cccc(C)c1C
InChIInChI=1S/C17H22N2O/c1-5-19-17(14-9-15(20-4)11-18-10-14)16-8-6-7-12(2)13(16)3/h6-11,17,19H,5H2,1-4H3
InChIKeyGKMLROFTHBFPED-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.41
Rot. Bonds5

About N-[(2,3-dimethylphenyl)-(5-methoxy-3-pyridinyl)methyl]ethanamine

N-[(2,3-dimethylphenyl)-(5-methoxy-3-pyridinyl)methyl]ethanamine (PubChem CID 105025837) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is N-[(2,3-dimethylphenyl)-(5-methoxy-3-pyridinyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2,3-dimethylphenyl)-(5-methoxy-3-pyridinyl)methyl]ethanamine
PubChem CID105025837
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC NameN-[(2,3-dimethylphenyl)-(5-methoxy-3-pyridinyl)methyl]ethanamine
SMILESCCNC(c1cncc(OC)c1)c1cccc(C)c1C
InChIInChI=1S/C17H22N2O/c1-5-19-17(14-9-15(20-4)11-18-10-14)16-8-6-7-12(2)13(16)3/h6-11,17,19H,5H2,1-4H3
InChIKeyGKMLROFTHBFPED-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-(2,3-dimethylphenyl)-1-(5-methoxy-3-pyridinyl)-N-methylmethanamine
CID 105025757
N-[(2,3-dimethylphenyl)-(4-methoxyphenyl)methyl]ethanamine
CID 43489235
N-[(4-chloro-3-methylphenyl)-(5-methoxy-3-pyridinyl)methyl]ethanamine
CID 105026066
N-[(5-methoxy-3-pyridinyl)-(2,3,4-trifluorophenyl)methyl]ethanamine
CID 105025866
N-[(3-ethyl-6-methylpyridazin-4-yl)-(5-methoxy-3-pyridinyl)methyl]ethanamine
CID 105175289
N-[(2,6-difluoro-3-methylphenyl)-(5-methoxy-3-pyridinyl)methyl]ethanamine
CID 105025947
N-[(2-chloro-4-methoxyphenyl)-(2,3-dimethylphenyl)methyl]ethanamine
CID 43562044
[(2-fluoro-3-methylphenyl)-(5-methoxy-3-pyridinyl)methyl]hydrazine
CID 105329831
N-[(5-methoxy-3-pyridinyl)-(5-methylfuran-3-yl)methyl]ethanamine
CID 105026071
1-(3,5-dimethoxyphenyl)-1-(2,3-dimethylphenyl)-N-methylmethanamine
CID 115850471
N-[(5-methoxy-3-pyridinyl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine
CID 114878523
[(2,3-dimethylphenyl)-(5-propan-2-yloxy-3-pyridinyl)methyl]hydrazine
CID 105330458

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dimethylphenyl)-(5-methoxy-3-pyridinyl)methyl]ethanamine?
The IUPAC name of N-[(2,3-dimethylphenyl)-(5-methoxy-3-pyridinyl)methyl]ethanamine (CID 105025837) is N-[(2,3-dimethylphenyl)-(5-methoxy-3-pyridinyl)methyl]ethanamine.
What is the SMILES notation for N-[(2,3-dimethylphenyl)-(5-methoxy-3-pyridinyl)methyl]ethanamine?
The canonical SMILES for N-[(2,3-dimethylphenyl)-(5-methoxy-3-pyridinyl)methyl]ethanamine is CCNC(c1cncc(OC)c1)c1cccc(C)c1C.
What is the InChIKey of N-[(2,3-dimethylphenyl)-(5-methoxy-3-pyridinyl)methyl]ethanamine?
The InChIKey is GKMLROFTHBFPED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-5-19-17(14-9-15(20-4)11-18-10-14)16-8-6-7-12(2)13(16)3/h6-11,17,19H,5H2,1-4H3.
What are the key properties of N-[(2,3-dimethylphenyl)-(5-methoxy-3-pyridinyl)methyl]ethanamine?
N-[(2,3-dimethylphenyl)-(5-methoxy-3-pyridinyl)methyl]ethanamine 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 N-[(2,3-dimethylphenyl)-(5-methoxy-3-pyridinyl)methyl]ethanamine is sourced from PubChem (CID 105025837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).