4-(3,5-dimethylphenoxy)-2-ethoxyaniline

C16H19NO2 — CID 63676933

IUPAC4-(3,5-dimethylphenoxy)-2-ethoxyaniline
SMILESCCOc1cc(Oc2cc(C)cc(C)c2)ccc1N
InChIInChI=1S/C16H19NO2/c1-4-18-16-10-13(5-6-15(16)17)19-14-8-11(2)7-12(3)9-14/h5-10H,4,17H2,1-3H3
InChIKeyOYSCDRIOZJVXMP-UHFFFAOYSA-N
MW257.33 g/mol
LogP4.08
Rot. Bonds4

About 4-(3,5-dimethylphenoxy)-2-ethoxyaniline

4-(3,5-dimethylphenoxy)-2-ethoxyaniline (PubChem CID 63676933) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is 4-(3,5-dimethylphenoxy)-2-ethoxyaniline.

Molecular Properties

Compound Name4-(3,5-dimethylphenoxy)-2-ethoxyaniline
PubChem CID63676933
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name4-(3,5-dimethylphenoxy)-2-ethoxyaniline
SMILESCCOc1cc(Oc2cc(C)cc(C)c2)ccc1N
InChIInChI=1S/C16H19NO2/c1-4-18-16-10-13(5-6-15(16)17)19-14-8-11(2)7-12(3)9-14/h5-10H,4,17H2,1-3H3
InChIKeyOYSCDRIOZJVXMP-UHFFFAOYSA-N
XLogP4.08
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(3,4-dimethylphenoxy)-2-ethoxyaniline
CID 63676735
2-ethoxy-4-(4-methoxyphenoxy)aniline
CID 63675944
4-(4-chloro-3-methylphenoxy)-2-ethoxyaniline
CID 63676742
2-ethoxy-4-(4-propylphenoxy)aniline
CID 63675228
4-(3,5-dimethylphenoxy)-2-propan-2-yloxyaniline
CID 83001907
4-(4-ethoxyphenoxy)-2-propoxyaniline
CID 63676127
2-ethoxy-4-(4-methylsulfonylphenoxy)aniline
CID 63676144
2-ethoxy-4-propoxyaniline
CID 63677806
2-ethoxy-4-(2-iodophenoxy)aniline
CID 63675223
4-cyclobutyloxy-2-ethoxyaniline
CID 63677607
4-N-(3,5-dimethylphenyl)-2-ethoxybenzene-1,4-diamine
CID 55232144
4-(2,4-dichlorophenoxy)-2-ethoxyaniline
CID 63675211

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylphenoxy)-2-ethoxyaniline?
The IUPAC name of 4-(3,5-dimethylphenoxy)-2-ethoxyaniline (CID 63676933) is 4-(3,5-dimethylphenoxy)-2-ethoxyaniline.
What is the SMILES notation for 4-(3,5-dimethylphenoxy)-2-ethoxyaniline?
The canonical SMILES for 4-(3,5-dimethylphenoxy)-2-ethoxyaniline is CCOc1cc(Oc2cc(C)cc(C)c2)ccc1N.
What is the InChIKey of 4-(3,5-dimethylphenoxy)-2-ethoxyaniline?
The InChIKey is OYSCDRIOZJVXMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-4-18-16-10-13(5-6-15(16)17)19-14-8-11(2)7-12(3)9-14/h5-10H,4,17H2,1-3H3.
What are the key properties of 4-(3,5-dimethylphenoxy)-2-ethoxyaniline?
4-(3,5-dimethylphenoxy)-2-ethoxyaniline has a molecular weight of 257.33 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylphenoxy)-2-ethoxyaniline is sourced from PubChem (CID 63676933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).