4-ethoxy-N-[(6-methoxy-3-pyridinyl)methyl]-2-methylaniline

C16H20N2O2 — CID 114936663

IUPAC4-ethoxy-N-[(6-methoxy-3-pyridinyl)methyl]-2-methylaniline
SMILESCCOc1ccc(NCc2ccc(OC)nc2)c(C)c1
InChIInChI=1S/C16H20N2O2/c1-4-20-14-6-7-15(12(2)9-14)17-10-13-5-8-16(19-3)18-11-13/h5-9,11,17H,4,10H2,1-3H3
InChIKeyLHXQZXUYIRSDLO-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.41
Rot. Bonds6

About 4-ethoxy-N-[(6-methoxy-3-pyridinyl)methyl]-2-methylaniline

4-ethoxy-N-[(6-methoxy-3-pyridinyl)methyl]-2-methylaniline (PubChem CID 114936663) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 4-ethoxy-N-[(6-methoxy-3-pyridinyl)methyl]-2-methylaniline.

Molecular Properties

Compound Name4-ethoxy-N-[(6-methoxy-3-pyridinyl)methyl]-2-methylaniline
PubChem CID114936663
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name4-ethoxy-N-[(6-methoxy-3-pyridinyl)methyl]-2-methylaniline
SMILESCCOc1ccc(NCc2ccc(OC)nc2)c(C)c1
InChIInChI=1S/C16H20N2O2/c1-4-20-14-6-7-15(12(2)9-14)17-10-13-5-8-16(19-3)18-11-13/h5-9,11,17H,4,10H2,1-3H3
InChIKeyLHXQZXUYIRSDLO-UHFFFAOYSA-N
XLogP3.41
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze 4-ethoxy-N-[(6-methoxy-3-pyridinyl)methyl]-2-methylaniline 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

[4-[(4-ethoxy-2-methylanilino)methyl]phenyl]methanol
CID 110006558
4-ethoxy-N-[(3-methoxyphenyl)methyl]-2-methylaniline
CID 60936145
2-ethoxy-4-fluoro-N-[(6-methoxy-3-pyridinyl)methyl]aniline
CID 114936544
4-[(6-methoxy-3-pyridinyl)methylamino]-N,3-dimethylbenzamide
CID 114936579
N-[[4-(difluoromethyl)phenyl]methyl]-4-ethoxy-2-methylaniline
CID 115523834
3-[(6-methoxy-3-pyridinyl)methylamino]-2,6-dimethylphenol
CID 114936585
2-chloro-N-[(6-methoxy-3-pyridinyl)methyl]-4-methylaniline
CID 114936385
4-ethoxy-2-methyl-N-[(3-methylphenyl)methyl]aniline
CID 54865409
4-methoxy-N-[(6-methoxy-3-pyridinyl)methyl]aniline
CID 114936317
2-bromo-4-[(4-ethoxy-2-methylanilino)methyl]phenol
CID 60962099
2-[4-[(4-ethoxy-2-methylanilino)methyl]pyrazol-1-yl]ethanol
CID 64829629
2,3,4-trifluoro-N-[(6-methoxy-3-pyridinyl)methyl]aniline
CID 114936281

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[(6-methoxy-3-pyridinyl)methyl]-2-methylaniline?
The IUPAC name of 4-ethoxy-N-[(6-methoxy-3-pyridinyl)methyl]-2-methylaniline (CID 114936663) is 4-ethoxy-N-[(6-methoxy-3-pyridinyl)methyl]-2-methylaniline.
What is the SMILES notation for 4-ethoxy-N-[(6-methoxy-3-pyridinyl)methyl]-2-methylaniline?
The canonical SMILES for 4-ethoxy-N-[(6-methoxy-3-pyridinyl)methyl]-2-methylaniline is CCOc1ccc(NCc2ccc(OC)nc2)c(C)c1.
What is the InChIKey of 4-ethoxy-N-[(6-methoxy-3-pyridinyl)methyl]-2-methylaniline?
The InChIKey is LHXQZXUYIRSDLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-4-20-14-6-7-15(12(2)9-14)17-10-13-5-8-16(19-3)18-11-13/h5-9,11,17H,4,10H2,1-3H3.
What are the key properties of 4-ethoxy-N-[(6-methoxy-3-pyridinyl)methyl]-2-methylaniline?
4-ethoxy-N-[(6-methoxy-3-pyridinyl)methyl]-2-methylaniline has a molecular weight of 272.35 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[(6-methoxy-3-pyridinyl)methyl]-2-methylaniline is sourced from PubChem (CID 114936663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).