N-[(2,4-dimethylphenyl)-(3-methoxy-4-pyridinyl)methyl]ethanamine

C17H22N2O — CID 105065558

IUPACN-[(2,4-dimethylphenyl)-(3-methoxy-4-pyridinyl)methyl]ethanamine
SMILESCCNC(c1ccc(C)cc1C)c1ccncc1OC
InChIInChI=1S/C17H22N2O/c1-5-19-17(14-7-6-12(2)10-13(14)3)15-8-9-18-11-16(15)20-4/h6-11,17,19H,5H2,1-4H3
InChIKeyXWMVBFPVDZOUOD-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.41
Rot. Bonds5

About N-[(2,4-dimethylphenyl)-(3-methoxy-4-pyridinyl)methyl]ethanamine

N-[(2,4-dimethylphenyl)-(3-methoxy-4-pyridinyl)methyl]ethanamine (PubChem CID 105065558) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is N-[(2,4-dimethylphenyl)-(3-methoxy-4-pyridinyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2,4-dimethylphenyl)-(3-methoxy-4-pyridinyl)methyl]ethanamine
PubChem CID105065558
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC NameN-[(2,4-dimethylphenyl)-(3-methoxy-4-pyridinyl)methyl]ethanamine
SMILESCCNC(c1ccc(C)cc1C)c1ccncc1OC
InChIInChI=1S/C17H22N2O/c1-5-19-17(14-7-6-12(2)10-13(14)3)15-8-9-18-11-16(15)20-4/h6-11,17,19H,5H2,1-4H3
InChIKeyXWMVBFPVDZOUOD-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

N-[(2,4-dimethylphenyl)-(3-methoxy-4-methylphenyl)methyl]ethanamine
CID 43489971
N-[(2-fluoro-5-methylphenyl)-(3-methoxy-4-pyridinyl)methyl]propan-1-amine
CID 105065520
N-[(2-methoxy-4-methylphenyl)-(2-methoxyphenyl)methyl]ethanamine
CID 106792216
N-[(2,6-difluoro-3-methylphenyl)-(3-methoxy-4-pyridinyl)methyl]ethanamine
CID 105065970
N-[(2,4-dimethylphenyl)-(3-fluoro-4-methoxyphenyl)methyl]ethanamine
CID 43493809
N-[(2-ethylpyrazol-3-yl)-(2-methoxy-4-methylphenyl)methyl]ethanamine
CID 106792297
N-[(3-methoxy-4-pyridinyl)-(3-propylphenyl)methyl]ethanamine
CID 105066129
N-[(3,5-dimethylphenyl)-(2-methoxy-4-methylphenyl)methyl]ethanamine
CID 106792320
N-[(2-methoxy-3,4-dimethylphenyl)-(4-methyl-3-pyridinyl)methyl]ethanamine
CID 103433974
N-[(2-fluoro-4-methylphenyl)-(2-methoxyphenyl)methyl]ethanamine
CID 115793050
2-(2-methoxy-5-methylphenyl)-1-(3-methoxy-4-pyridinyl)-N-methylethanamine
CID 105065334
1-(2-methoxy-4-methylphenyl)-N-methyl-1-(4-methyl-3-pyridinyl)methanamine
CID 106792054

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethylphenyl)-(3-methoxy-4-pyridinyl)methyl]ethanamine?
The IUPAC name of N-[(2,4-dimethylphenyl)-(3-methoxy-4-pyridinyl)methyl]ethanamine (CID 105065558) is N-[(2,4-dimethylphenyl)-(3-methoxy-4-pyridinyl)methyl]ethanamine.
What is the SMILES notation for N-[(2,4-dimethylphenyl)-(3-methoxy-4-pyridinyl)methyl]ethanamine?
The canonical SMILES for N-[(2,4-dimethylphenyl)-(3-methoxy-4-pyridinyl)methyl]ethanamine is CCNC(c1ccc(C)cc1C)c1ccncc1OC.
What is the InChIKey of N-[(2,4-dimethylphenyl)-(3-methoxy-4-pyridinyl)methyl]ethanamine?
The InChIKey is XWMVBFPVDZOUOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-5-19-17(14-7-6-12(2)10-13(14)3)15-8-9-18-11-16(15)20-4/h6-11,17,19H,5H2,1-4H3.
What are the key properties of N-[(2,4-dimethylphenyl)-(3-methoxy-4-pyridinyl)methyl]ethanamine?
N-[(2,4-dimethylphenyl)-(3-methoxy-4-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-[(2,4-dimethylphenyl)-(3-methoxy-4-pyridinyl)methyl]ethanamine is sourced from PubChem (CID 105065558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).