4-ethoxy-3-methoxy-N-(1-pyridin-4-ylethyl)aniline

C16H20N2O2 — CID 43717339

IUPAC4-ethoxy-3-methoxy-N-(1-pyridin-4-ylethyl)aniline
SMILESCCOc1ccc(NC(C)c2ccncc2)cc1OC
InChIInChI=1S/C16H20N2O2/c1-4-20-15-6-5-14(11-16(15)19-3)18-12(2)13-7-9-17-10-8-13/h5-12,18H,4H2,1-3H3
InChIKeyQVAQGKCFGNEGLA-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.66
Rot. Bonds6

About 4-ethoxy-3-methoxy-N-(1-pyridin-4-ylethyl)aniline

4-ethoxy-3-methoxy-N-(1-pyridin-4-ylethyl)aniline (PubChem CID 43717339) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 4-ethoxy-3-methoxy-N-(1-pyridin-4-ylethyl)aniline.

Molecular Properties

Compound Name4-ethoxy-3-methoxy-N-(1-pyridin-4-ylethyl)aniline
PubChem CID43717339
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name4-ethoxy-3-methoxy-N-(1-pyridin-4-ylethyl)aniline
SMILESCCOc1ccc(NC(C)c2ccncc2)cc1OC
InChIInChI=1S/C16H20N2O2/c1-4-20-15-6-5-14(11-16(15)19-3)18-12(2)13-7-9-17-10-8-13/h5-12,18H,4H2,1-3H3
InChIKeyQVAQGKCFGNEGLA-UHFFFAOYSA-N
XLogP3.66
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 ≤ 53.66
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

4-ethoxy-N-[1-(5-fluoro-3-pyridinyl)ethyl]-3-methoxyaniline
CID 103935795
4-ethoxy-3-methoxy-N-(1-pyridin-2-ylethyl)aniline
CID 43717313
3-ethoxy-4-methoxy-N-(1-pyridin-2-ylethyl)aniline
CID 43729895
4-ethoxy-3-methoxy-N-(2-methylpentan-3-yl)aniline
CID 43785298
4-ethoxy-3-methoxy-N-(1-methoxypropan-2-yl)aniline
CID 62536992
N-[1-(3,4-dimethoxyphenyl)ethyl]-3,4-dimethoxyaniline
CID 46021712
3-chloro-4-ethoxy-N-[1-(4-methoxyphenyl)ethyl]aniline
CID 60943275
3-ethoxy-4-methoxy-N-[1-(1,3-thiazol-5-yl)ethyl]aniline
CID 115917806
2-chloro-N-(4-ethoxy-3-methoxyphenyl)propanamide
CID 43346919
4-ethoxy-3-methoxy-N-methylaniline
CID 63089329
N-[1-(4-iodophenyl)ethyl]-3,4-dimethoxyaniline
CID 43759998
3-ethoxy-4-methoxy-N-(pyridin-4-ylmethyl)aniline
CID 43729883

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-3-methoxy-N-(1-pyridin-4-ylethyl)aniline?
The IUPAC name of 4-ethoxy-3-methoxy-N-(1-pyridin-4-ylethyl)aniline (CID 43717339) is 4-ethoxy-3-methoxy-N-(1-pyridin-4-ylethyl)aniline.
What is the SMILES notation for 4-ethoxy-3-methoxy-N-(1-pyridin-4-ylethyl)aniline?
The canonical SMILES for 4-ethoxy-3-methoxy-N-(1-pyridin-4-ylethyl)aniline is CCOc1ccc(NC(C)c2ccncc2)cc1OC.
What is the InChIKey of 4-ethoxy-3-methoxy-N-(1-pyridin-4-ylethyl)aniline?
The InChIKey is QVAQGKCFGNEGLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-4-20-15-6-5-14(11-16(15)19-3)18-12(2)13-7-9-17-10-8-13/h5-12,18H,4H2,1-3H3.
What are the key properties of 4-ethoxy-3-methoxy-N-(1-pyridin-4-ylethyl)aniline?
4-ethoxy-3-methoxy-N-(1-pyridin-4-ylethyl)aniline has a molecular weight of 272.35 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-3-methoxy-N-(1-pyridin-4-ylethyl)aniline is sourced from PubChem (CID 43717339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).