3-ethoxy-4-methoxy-N-(pyridin-4-ylmethyl)aniline

C15H18N2O2 — CID 43729883

IUPAC3-ethoxy-4-methoxy-N-(pyridin-4-ylmethyl)aniline
SMILESCCOc1cc(NCc2ccncc2)ccc1OC
InChIInChI=1S/C15H18N2O2/c1-3-19-15-10-13(4-5-14(15)18-2)17-11-12-6-8-16-9-7-12/h4-10,17H,3,11H2,1-2H3
InChIKeyFPDPJVWJLTUHFN-UHFFFAOYSA-N
MW258.32 g/mol
LogP3.10
Rot. Bonds6

About 3-ethoxy-4-methoxy-N-(pyridin-4-ylmethyl)aniline

3-ethoxy-4-methoxy-N-(pyridin-4-ylmethyl)aniline (PubChem CID 43729883) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 3-ethoxy-4-methoxy-N-(pyridin-4-ylmethyl)aniline.

Molecular Properties

Compound Name3-ethoxy-4-methoxy-N-(pyridin-4-ylmethyl)aniline
PubChem CID43729883
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name3-ethoxy-4-methoxy-N-(pyridin-4-ylmethyl)aniline
SMILESCCOc1cc(NCc2ccncc2)ccc1OC
InChIInChI=1S/C15H18N2O2/c1-3-19-15-10-13(4-5-14(15)18-2)17-11-12-6-8-16-9-7-12/h4-10,17H,3,11H2,1-2H3
InChIKeyFPDPJVWJLTUHFN-UHFFFAOYSA-N
XLogP3.10
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(difluoromethoxy)-4-methoxy-N-(pyridin-4-ylmethyl)aniline
CID 43731334
N-[(3,5-dichlorophenyl)methyl]-3-ethoxy-4-methoxyaniline
CID 60790045
3-ethoxy-4-methoxy-N-(1H-pyrrol-3-ylmethyl)aniline
CID 66407427
3-ethoxy-4-methoxy-N-[(3-methylphenyl)methyl]aniline
CID 43729859
N-[(3-bromophenyl)methyl]-3-ethoxy-4-methoxyaniline
CID 43729850
3-ethoxy-4-methoxy-N-[(1-methylimidazol-2-yl)methyl]aniline
CID 62358267
4-[(4-ethoxy-3-methoxyanilino)methyl]benzonitrile
CID 43231976
3,4-dimethoxy-N-[4-(pyridin-4-ylmethylamino)phenyl]benzamide
CID 112983135
3-ethoxy-4-methoxy-N-[(1-propylpyrrol-3-yl)methyl]aniline
CID 66416311
3-ethoxy-N-(pyridin-4-ylmethyl)aniline
CID 54864999
3-bromo-N-[(3-ethoxy-4-methoxyphenyl)methyl]-4-methylaniline
CID 63333064
1-N-[(3-ethoxy-4-methoxyphenyl)methyl]-4-N,4-N-dimethylbenzene-1,4-diamine
CID 39423555

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-4-methoxy-N-(pyridin-4-ylmethyl)aniline?
The IUPAC name of 3-ethoxy-4-methoxy-N-(pyridin-4-ylmethyl)aniline (CID 43729883) is 3-ethoxy-4-methoxy-N-(pyridin-4-ylmethyl)aniline.
What is the SMILES notation for 3-ethoxy-4-methoxy-N-(pyridin-4-ylmethyl)aniline?
The canonical SMILES for 3-ethoxy-4-methoxy-N-(pyridin-4-ylmethyl)aniline is CCOc1cc(NCc2ccncc2)ccc1OC.
What is the InChIKey of 3-ethoxy-4-methoxy-N-(pyridin-4-ylmethyl)aniline?
The InChIKey is FPDPJVWJLTUHFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-3-19-15-10-13(4-5-14(15)18-2)17-11-12-6-8-16-9-7-12/h4-10,17H,3,11H2,1-2H3.
What are the key properties of 3-ethoxy-4-methoxy-N-(pyridin-4-ylmethyl)aniline?
3-ethoxy-4-methoxy-N-(pyridin-4-ylmethyl)aniline has a molecular weight of 258.32 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-4-methoxy-N-(pyridin-4-ylmethyl)aniline is sourced from PubChem (CID 43729883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).