2-ethoxy-4-(oxan-4-ylmethoxy)aniline

C14H21NO3 — CID 63678220

IUPAC2-ethoxy-4-(oxan-4-ylmethoxy)aniline
SMILESCCOc1cc(OCC2CCOCC2)ccc1N
InChIInChI=1S/C14H21NO3/c1-2-17-14-9-12(3-4-13(14)15)18-10-11-5-7-16-8-6-11/h3-4,9,11H,2,5-8,10,15H2,1H3
InChIKeyYNVZLQLCCCJWHZ-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.47
Rot. Bonds5

About 2-ethoxy-4-(oxan-4-ylmethoxy)aniline

2-ethoxy-4-(oxan-4-ylmethoxy)aniline (PubChem CID 63678220) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-ethoxy-4-(oxan-4-ylmethoxy)aniline.

Molecular Properties

Compound Name2-ethoxy-4-(oxan-4-ylmethoxy)aniline
PubChem CID63678220
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name2-ethoxy-4-(oxan-4-ylmethoxy)aniline
SMILESCCOc1cc(OCC2CCOCC2)ccc1N
InChIInChI=1S/C14H21NO3/c1-2-17-14-9-12(3-4-13(14)15)18-10-11-5-7-16-8-6-11/h3-4,9,11H,2,5-8,10,15H2,1H3
InChIKeyYNVZLQLCCCJWHZ-UHFFFAOYSA-N
XLogP2.47
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(cyclopentylmethoxy)-2-ethoxyaniline
CID 66324490
4-(oxan-4-ylmethoxy)-2-propan-2-yloxyaniline
CID 83002627
2-chloro-4-(oxan-4-ylmethoxy)aniline
CID 62384730
2-(cyclopropylmethoxy)-4-(oxan-4-yloxy)aniline
CID 155920771
1-[2-amino-5-(oxan-4-ylmethoxy)phenyl]ethanone
CID 104613309
4-(2-cyclopropylethoxy)-2-ethoxyaniline
CID 106199653
2-ethoxy-4-N-methyl-4-N-(oxan-4-ylmethyl)benzene-1,4-diamine
CID 63725265
2-methyl-4-(oxolan-3-ylmethoxy)aniline
CID 61313415
2-ethoxy-4-(oxetan-3-yloxy)aniline
CID 102605509
4-cyclobutyloxy-2-ethoxyaniline
CID 63677607
2-ethoxy-4-propoxyaniline
CID 63677806
ethyl 4-amino-3-(oxolan-3-ylmethoxy)benzoate
CID 82796221

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-(oxan-4-ylmethoxy)aniline?
The IUPAC name of 2-ethoxy-4-(oxan-4-ylmethoxy)aniline (CID 63678220) is 2-ethoxy-4-(oxan-4-ylmethoxy)aniline.
What is the SMILES notation for 2-ethoxy-4-(oxan-4-ylmethoxy)aniline?
The canonical SMILES for 2-ethoxy-4-(oxan-4-ylmethoxy)aniline is CCOc1cc(OCC2CCOCC2)ccc1N.
What is the InChIKey of 2-ethoxy-4-(oxan-4-ylmethoxy)aniline?
The InChIKey is YNVZLQLCCCJWHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-2-17-14-9-12(3-4-13(14)15)18-10-11-5-7-16-8-6-11/h3-4,9,11H,2,5-8,10,15H2,1H3.
What are the key properties of 2-ethoxy-4-(oxan-4-ylmethoxy)aniline?
2-ethoxy-4-(oxan-4-ylmethoxy)aniline has a molecular weight of 251.33 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-(oxan-4-ylmethoxy)aniline is sourced from PubChem (CID 63678220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).