4-(4-methoxyphenoxy)-2-propoxyaniline

C16H19NO3 — CID 63675755

IUPAC4-(4-methoxyphenoxy)-2-propoxyaniline
SMILESCCCOc1cc(Oc2ccc(OC)cc2)ccc1N
InChIInChI=1S/C16H19NO3/c1-3-10-19-16-11-14(8-9-15(16)17)20-13-6-4-12(18-2)5-7-13/h4-9,11H,3,10,17H2,1-2H3
InChIKeyYLDAKDDLAKNOBQ-UHFFFAOYSA-N
MW273.33 g/mol
LogP3.86
Rot. Bonds6

About 4-(4-methoxyphenoxy)-2-propoxyaniline

4-(4-methoxyphenoxy)-2-propoxyaniline (PubChem CID 63675755) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is 4-(4-methoxyphenoxy)-2-propoxyaniline.

Molecular Properties

Compound Name4-(4-methoxyphenoxy)-2-propoxyaniline
PubChem CID63675755
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name4-(4-methoxyphenoxy)-2-propoxyaniline
SMILESCCCOc1cc(Oc2ccc(OC)cc2)ccc1N
InChIInChI=1S/C16H19NO3/c1-3-10-19-16-11-14(8-9-15(16)17)20-13-6-4-12(18-2)5-7-13/h4-9,11H,3,10,17H2,1-2H3
InChIKeyYLDAKDDLAKNOBQ-UHFFFAOYSA-N
XLogP3.86
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(4-methoxyphenoxy)-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-(3-methoxyphenoxy)-2-propoxyaniline
CID 63678000
4-(4-ethoxyphenoxy)-2-propoxyaniline
CID 63676127
2-ethoxy-4-(4-methoxyphenoxy)aniline
CID 63675944
4-N-(4-methoxyphenyl)-4-N-methyl-2-propoxybenzene-1,4-diamine
CID 63677320
4-(3-ethylphenoxy)-2-propoxyaniline
CID 63676136
4-(4-chloro-3-ethylphenoxy)-2-propoxyaniline
CID 63677601
4-(3-methoxypropoxy)-2-propoxyaniline
CID 63676543
2-ethoxy-4-propoxyaniline
CID 63677806
4-octoxy-2-propoxyaniline
CID 63676334
4-(5-bromo-2-methylphenoxy)-2-propoxyaniline
CID 107283362
2-propoxy-4-(1-propylpyrazol-4-yl)oxyaniline
CID 116800416
4-(4-ethylphenoxy)-2-methoxyaniline
CID 63678406

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenoxy)-2-propoxyaniline?
The IUPAC name of 4-(4-methoxyphenoxy)-2-propoxyaniline (CID 63675755) is 4-(4-methoxyphenoxy)-2-propoxyaniline.
What is the SMILES notation for 4-(4-methoxyphenoxy)-2-propoxyaniline?
The canonical SMILES for 4-(4-methoxyphenoxy)-2-propoxyaniline is CCCOc1cc(Oc2ccc(OC)cc2)ccc1N.
What is the InChIKey of 4-(4-methoxyphenoxy)-2-propoxyaniline?
The InChIKey is YLDAKDDLAKNOBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-3-10-19-16-11-14(8-9-15(16)17)20-13-6-4-12(18-2)5-7-13/h4-9,11H,3,10,17H2,1-2H3.
What are the key properties of 4-(4-methoxyphenoxy)-2-propoxyaniline?
4-(4-methoxyphenoxy)-2-propoxyaniline has a molecular weight of 273.33 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenoxy)-2-propoxyaniline is sourced from PubChem (CID 63675755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).