4-ethoxy-3-(2-pyridin-2-ylethoxymethyl)aniline

C16H20N2O2 — CID 43260203

IUPAC4-ethoxy-3-(2-pyridin-2-ylethoxymethyl)aniline
SMILESCCOc1ccc(N)cc1COCCc1ccccn1
InChIInChI=1S/C16H20N2O2/c1-2-20-16-7-6-14(17)11-13(16)12-19-10-8-15-5-3-4-9-18-15/h3-7,9,11H,2,8,10,12,17H2,1H3
InChIKeyVBNDQNNRTJJRBG-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.82
Rot. Bonds7

About 4-ethoxy-3-(2-pyridin-2-ylethoxymethyl)aniline

4-ethoxy-3-(2-pyridin-2-ylethoxymethyl)aniline (PubChem CID 43260203) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 4-ethoxy-3-(2-pyridin-2-ylethoxymethyl)aniline.

Molecular Properties

Compound Name4-ethoxy-3-(2-pyridin-2-ylethoxymethyl)aniline
PubChem CID43260203
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name4-ethoxy-3-(2-pyridin-2-ylethoxymethyl)aniline
SMILESCCOc1ccc(N)cc1COCCc1ccccn1
InChIInChI=1S/C16H20N2O2/c1-2-20-16-7-6-14(17)11-13(16)12-19-10-8-15-5-3-4-9-18-15/h3-7,9,11H,2,8,10,12,17H2,1H3
InChIKeyVBNDQNNRTJJRBG-UHFFFAOYSA-N
XLogP2.82
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-ethoxy-3-(propoxymethyl)aniline
CID 43260240
4-ethoxy-3-(3-pyridin-4-ylpropoxymethyl)aniline
CID 43260207
4-ethoxy-3-[2-(2-methoxyethoxy)ethoxymethyl]aniline
CID 104560280
3-(difluoromethyl)-4-(2-pyridin-2-ylethoxy)aniline
CID 63734475
2-[2-(ethoxymethoxy)ethyl]pyridine
CID 20729603
[3-ethoxy-2-(2-pyridin-2-ylethoxy)phenyl]methanamine
CID 60891453
4-methoxy-3-[[methyl(2-pyridin-2-ylethyl)amino]methyl]aniline
CID 43247155
4-[2-(2-pyridin-2-ylethoxy)ethoxy]aniline
CID 43366212
[2-[3-(2-pyridin-2-ylethoxy)propoxy]phenyl]methanamine
CID 43254444
5-methyl-2-(2-pyridin-2-ylethoxy)aniline
CID 22046369
1-ethoxy-2-[2-[2-(2-ethoxyphenyl)ethoxy]ethyl]benzene
CID 141096945
2-[2-(2-pyridin-2-ylethoxymethyl)phenyl]acetohydrazide
CID 115465175

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-3-(2-pyridin-2-ylethoxymethyl)aniline?
The IUPAC name of 4-ethoxy-3-(2-pyridin-2-ylethoxymethyl)aniline (CID 43260203) is 4-ethoxy-3-(2-pyridin-2-ylethoxymethyl)aniline.
What is the SMILES notation for 4-ethoxy-3-(2-pyridin-2-ylethoxymethyl)aniline?
The canonical SMILES for 4-ethoxy-3-(2-pyridin-2-ylethoxymethyl)aniline is CCOc1ccc(N)cc1COCCc1ccccn1.
What is the InChIKey of 4-ethoxy-3-(2-pyridin-2-ylethoxymethyl)aniline?
The InChIKey is VBNDQNNRTJJRBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-2-20-16-7-6-14(17)11-13(16)12-19-10-8-15-5-3-4-9-18-15/h3-7,9,11H,2,8,10,12,17H2,1H3.
What are the key properties of 4-ethoxy-3-(2-pyridin-2-ylethoxymethyl)aniline?
4-ethoxy-3-(2-pyridin-2-ylethoxymethyl)aniline has a molecular weight of 272.35 g/mol, XLogP of 2.82, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-3-(2-pyridin-2-ylethoxymethyl)aniline is sourced from PubChem (CID 43260203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).