4-(4-ethoxyphenoxy)-2-propoxyaniline

C17H21NO3 — CID 63676127

IUPAC4-(4-ethoxyphenoxy)-2-propoxyaniline
SMILESCCCOc1cc(Oc2ccc(OCC)cc2)ccc1N
InChIInChI=1S/C17H21NO3/c1-3-11-20-17-12-15(9-10-16(17)18)21-14-7-5-13(6-8-14)19-4-2/h5-10,12H,3-4,11,18H2,1-2H3
InChIKeyDCTFEHRLELBBKG-UHFFFAOYSA-N
MW287.36 g/mol
LogP4.25
Rot. Bonds7

About 4-(4-ethoxyphenoxy)-2-propoxyaniline

4-(4-ethoxyphenoxy)-2-propoxyaniline (PubChem CID 63676127) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is 4-(4-ethoxyphenoxy)-2-propoxyaniline.

Molecular Properties

Compound Name4-(4-ethoxyphenoxy)-2-propoxyaniline
PubChem CID63676127
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name4-(4-ethoxyphenoxy)-2-propoxyaniline
SMILESCCCOc1cc(Oc2ccc(OCC)cc2)ccc1N
InChIInChI=1S/C17H21NO3/c1-3-11-20-17-12-15(9-10-16(17)18)21-14-7-5-13(6-8-14)19-4-2/h5-10,12H,3-4,11,18H2,1-2H3
InChIKeyDCTFEHRLELBBKG-UHFFFAOYSA-N
XLogP4.25
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(4-ethoxyphenoxy)-2-propoxyaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(4-methoxyphenoxy)-2-propoxyaniline
CID 63675755
2-ethoxy-4-propoxyaniline
CID 63677806
2-ethoxy-4-(4-methoxyphenoxy)aniline
CID 63675944
4-(3-methoxyphenoxy)-2-propoxyaniline
CID 63678000
2-ethoxy-4-(4-propylphenoxy)aniline
CID 63675228
4-(3-ethylphenoxy)-2-propoxyaniline
CID 63676136
4-(4-chloro-3-ethylphenoxy)-2-propoxyaniline
CID 63677601
4-(3,4-dimethylphenoxy)-2-ethoxyaniline
CID 63676735
4-(3,5-dimethylphenoxy)-2-ethoxyaniline
CID 63676933
4-octoxy-2-propoxyaniline
CID 63676334
4-(3-methoxypropoxy)-2-propoxyaniline
CID 63676543
2-ethoxy-4-(4-methylsulfonylphenoxy)aniline
CID 63676144

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethoxyphenoxy)-2-propoxyaniline?
The IUPAC name of 4-(4-ethoxyphenoxy)-2-propoxyaniline (CID 63676127) is 4-(4-ethoxyphenoxy)-2-propoxyaniline.
What is the SMILES notation for 4-(4-ethoxyphenoxy)-2-propoxyaniline?
The canonical SMILES for 4-(4-ethoxyphenoxy)-2-propoxyaniline is CCCOc1cc(Oc2ccc(OCC)cc2)ccc1N.
What is the InChIKey of 4-(4-ethoxyphenoxy)-2-propoxyaniline?
The InChIKey is DCTFEHRLELBBKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-3-11-20-17-12-15(9-10-16(17)18)21-14-7-5-13(6-8-14)19-4-2/h5-10,12H,3-4,11,18H2,1-2H3.
What are the key properties of 4-(4-ethoxyphenoxy)-2-propoxyaniline?
4-(4-ethoxyphenoxy)-2-propoxyaniline has a molecular weight of 287.36 g/mol, XLogP of 4.25, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethoxyphenoxy)-2-propoxyaniline is sourced from PubChem (CID 63676127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).