2-ethoxy-4-(4-methoxyphenoxy)aniline

C15H17NO3 — CID 63675944

IUPAC2-ethoxy-4-(4-methoxyphenoxy)aniline
SMILESCCOc1cc(Oc2ccc(OC)cc2)ccc1N
InChIInChI=1S/C15H17NO3/c1-3-18-15-10-13(8-9-14(15)16)19-12-6-4-11(17-2)5-7-12/h4-10H,3,16H2,1-2H3
InChIKeyJRSMYOOEFUDPTG-UHFFFAOYSA-N
MW259.31 g/mol
LogP3.47
Rot. Bonds5

About 2-ethoxy-4-(4-methoxyphenoxy)aniline

2-ethoxy-4-(4-methoxyphenoxy)aniline (PubChem CID 63675944) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-ethoxy-4-(4-methoxyphenoxy)aniline.

Molecular Properties

Compound Name2-ethoxy-4-(4-methoxyphenoxy)aniline
PubChem CID63675944
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC Name2-ethoxy-4-(4-methoxyphenoxy)aniline
SMILESCCOc1cc(Oc2ccc(OC)cc2)ccc1N
InChIInChI=1S/C15H17NO3/c1-3-18-15-10-13(8-9-14(15)16)19-12-6-4-11(17-2)5-7-12/h4-10H,3,16H2,1-2H3
InChIKeyJRSMYOOEFUDPTG-UHFFFAOYSA-N
XLogP3.47
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 53.47
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-(4-methoxyphenoxy)-2-propoxyaniline
CID 63675755
2-ethoxy-4-(4-propylphenoxy)aniline
CID 63675228
4-(3,5-dimethylphenoxy)-2-ethoxyaniline
CID 63676933
4-(3,4-dimethylphenoxy)-2-ethoxyaniline
CID 63676735
4-(4-ethoxyphenoxy)-2-propoxyaniline
CID 63676127
2-ethoxy-4-(4-methylsulfonylphenoxy)aniline
CID 63676144
4-(4-chloro-3-methylphenoxy)-2-ethoxyaniline
CID 63676742
4-(3-methoxyphenoxy)-2-propoxyaniline
CID 63678000
2-ethoxy-4-quinolin-7-yloxyaniline
CID 107313220
4-(4-ethylphenoxy)-2-methoxyaniline
CID 63678406
2-ethoxy-4-propoxyaniline
CID 63677806
2-ethoxy-4-(2-iodophenoxy)aniline
CID 63675223

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-(4-methoxyphenoxy)aniline?
The IUPAC name of 2-ethoxy-4-(4-methoxyphenoxy)aniline (CID 63675944) is 2-ethoxy-4-(4-methoxyphenoxy)aniline.
What is the SMILES notation for 2-ethoxy-4-(4-methoxyphenoxy)aniline?
The canonical SMILES for 2-ethoxy-4-(4-methoxyphenoxy)aniline is CCOc1cc(Oc2ccc(OC)cc2)ccc1N.
What is the InChIKey of 2-ethoxy-4-(4-methoxyphenoxy)aniline?
The InChIKey is JRSMYOOEFUDPTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c1-3-18-15-10-13(8-9-14(15)16)19-12-6-4-11(17-2)5-7-12/h4-10H,3,16H2,1-2H3.
What are the key properties of 2-ethoxy-4-(4-methoxyphenoxy)aniline?
2-ethoxy-4-(4-methoxyphenoxy)aniline has a molecular weight of 259.31 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-(4-methoxyphenoxy)aniline is sourced from PubChem (CID 63675944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).