3-ethoxy-4-methoxy-N-(1-pyridin-2-ylethyl)aniline

C16H20N2O2 — CID 43729895

IUPAC3-ethoxy-4-methoxy-N-(1-pyridin-2-ylethyl)aniline
SMILESCCOc1cc(NC(C)c2ccccn2)ccc1OC
InChIInChI=1S/C16H20N2O2/c1-4-20-16-11-13(8-9-15(16)19-3)18-12(2)14-7-5-6-10-17-14/h5-12,18H,4H2,1-3H3
InChIKeyXMXOSWZNSZKAIT-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.66
Rot. Bonds6

About 3-ethoxy-4-methoxy-N-(1-pyridin-2-ylethyl)aniline

3-ethoxy-4-methoxy-N-(1-pyridin-2-ylethyl)aniline (PubChem CID 43729895) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 3-ethoxy-4-methoxy-N-(1-pyridin-2-ylethyl)aniline.

Molecular Properties

Compound Name3-ethoxy-4-methoxy-N-(1-pyridin-2-ylethyl)aniline
PubChem CID43729895
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name3-ethoxy-4-methoxy-N-(1-pyridin-2-ylethyl)aniline
SMILESCCOc1cc(NC(C)c2ccccn2)ccc1OC
InChIInChI=1S/C16H20N2O2/c1-4-20-16-11-13(8-9-15(16)19-3)18-12(2)14-7-5-6-10-17-14/h5-12,18H,4H2,1-3H3
InChIKeyXMXOSWZNSZKAIT-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-3-methoxy-N-(1-pyridin-2-ylethyl)aniline
CID 43717313
2-[2-methoxy-5-(1-pyridin-2-ylethylamino)phenoxy]ethanol
CID 43751475
2-ethoxy-4-N-(1-pyridin-2-ylethyl)benzene-1,4-diamine
CID 63671320
3-chloro-4-ethoxy-N-(1-pyridin-2-ylethyl)aniline
CID 54863996
2-ethoxy-N-(1-pyridin-2-ylethyl)aniline
CID 43191702
4-ethoxy-3-methoxy-N-(1-pyridin-4-ylethyl)aniline
CID 43717339
3-methoxy-N-(1-pyridin-2-ylethyl)aniline
CID 43196359
3-ethoxy-4-methoxy-N-[1-(1,3-thiazol-5-yl)ethyl]aniline
CID 115917806
6-ethoxy-4-N-(4-methoxyphenyl)-2-N-(1-pyridin-2-ylethyl)-1,3,5-triazine-2,4-diamine
CID 67016106
2-ethyl-6-methoxy-N-[(1S)-1-pyridin-2-ylethyl]aniline
CID 175055680
3-(3-ethoxy-4-methoxyanilino)-2-methylbutan-2-ol
CID 65337928
4-chloro-N-[1-(2-ethoxyphenyl)ethyl]-3-methoxyaniline
CID 107620944

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-4-methoxy-N-(1-pyridin-2-ylethyl)aniline?
The IUPAC name of 3-ethoxy-4-methoxy-N-(1-pyridin-2-ylethyl)aniline (CID 43729895) is 3-ethoxy-4-methoxy-N-(1-pyridin-2-ylethyl)aniline.
What is the SMILES notation for 3-ethoxy-4-methoxy-N-(1-pyridin-2-ylethyl)aniline?
The canonical SMILES for 3-ethoxy-4-methoxy-N-(1-pyridin-2-ylethyl)aniline is CCOc1cc(NC(C)c2ccccn2)ccc1OC.
What is the InChIKey of 3-ethoxy-4-methoxy-N-(1-pyridin-2-ylethyl)aniline?
The InChIKey is XMXOSWZNSZKAIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-4-20-16-11-13(8-9-15(16)19-3)18-12(2)14-7-5-6-10-17-14/h5-12,18H,4H2,1-3H3.
What are the key properties of 3-ethoxy-4-methoxy-N-(1-pyridin-2-ylethyl)aniline?
3-ethoxy-4-methoxy-N-(1-pyridin-2-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 3-ethoxy-4-methoxy-N-(1-pyridin-2-ylethyl)aniline is sourced from PubChem (CID 43729895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).