3-ethyl-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]aniline

C17H22N2O — CID 28584402

IUPAC3-ethyl-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]aniline
SMILESCCc1cccc(NCc2ncc(C)c(OC)c2C)c1
InChIInChI=1S/C17H22N2O/c1-5-14-7-6-8-15(9-14)18-11-16-13(3)17(20-4)12(2)10-19-16/h6-10,18H,5,11H2,1-4H3
InChIKeyIGEOVQLMYVYHLN-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.88
Rot. Bonds5

About 3-ethyl-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]aniline

3-ethyl-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]aniline (PubChem CID 28584402) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 3-ethyl-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]aniline.

Molecular Properties

Compound Name3-ethyl-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]aniline
PubChem CID28584402
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name3-ethyl-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]aniline
SMILESCCc1cccc(NCc2ncc(C)c(OC)c2C)c1
InChIInChI=1S/C17H22N2O/c1-5-14-7-6-8-15(9-14)18-11-16-13(3)17(20-4)12(2)10-19-16/h6-10,18H,5,11H2,1-4H3
InChIKeyIGEOVQLMYVYHLN-UHFFFAOYSA-N
XLogP3.88
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 ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-ethyl-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-methylsulfanylaniline
CID 28568369
3-chloro-4-fluoro-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]aniline
CID 83108940
4-(2-chloroethyl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]aniline
CID 65024346
3-ethyl-N-[(3-methyl-2-pyridinyl)methyl]aniline
CID 112650029
1-[3-(chloromethyl)phenyl]-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]methanamine
CID 65024867
N-[4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]phenyl]acetamide
CID 43825822
2,4,6-tribromo-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]aniline
CID 28992033
2-bromo-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-methylaniline
CID 82756625
1-ethyl-2-[(3-fluorophenyl)methyl]-3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]guanidine
CID 111877573
N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-(4-methoxyphenyl)ethanamine
CID 43826046
N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-(6-methyl-3-pyridinyl)methanamine
CID 62996931
benzyl 2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]acetate;propane
CID 143729119

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]aniline?
The IUPAC name of 3-ethyl-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]aniline (CID 28584402) is 3-ethyl-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]aniline.
What is the SMILES notation for 3-ethyl-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]aniline?
The canonical SMILES for 3-ethyl-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]aniline is CCc1cccc(NCc2ncc(C)c(OC)c2C)c1.
What is the InChIKey of 3-ethyl-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]aniline?
The InChIKey is IGEOVQLMYVYHLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-5-14-7-6-8-15(9-14)18-11-16-13(3)17(20-4)12(2)10-19-16/h6-10,18H,5,11H2,1-4H3.
What are the key properties of 3-ethyl-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]aniline?
3-ethyl-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]aniline has a molecular weight of 270.38 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]aniline is sourced from PubChem (CID 28584402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).