2-ethoxy-4-(4-propylphenoxy)aniline

C17H21NO2 — CID 63675228

IUPAC2-ethoxy-4-(4-propylphenoxy)aniline
SMILESCCCc1ccc(Oc2ccc(N)c(OCC)c2)cc1
InChIInChI=1S/C17H21NO2/c1-3-5-13-6-8-14(9-7-13)20-15-10-11-16(18)17(12-15)19-4-2/h6-12H,3-5,18H2,1-2H3
InChIKeySFHHJXKCCGJUAO-UHFFFAOYSA-N
MW271.36 g/mol
LogP4.41
Rot. Bonds6

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

2-ethoxy-4-(4-propylphenoxy)aniline (PubChem CID 63675228) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-ethoxy-4-(4-propylphenoxy)aniline.

Molecular Properties

Compound Name2-ethoxy-4-(4-propylphenoxy)aniline
PubChem CID63675228
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name2-ethoxy-4-(4-propylphenoxy)aniline
SMILESCCCc1ccc(Oc2ccc(N)c(OCC)c2)cc1
InChIInChI=1S/C17H21NO2/c1-3-5-13-6-8-14(9-7-13)20-15-10-11-16(18)17(12-15)19-4-2/h6-12H,3-5,18H2,1-2H3
InChIKeySFHHJXKCCGJUAO-UHFFFAOYSA-N
XLogP4.41
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 54.41
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

2-ethoxy-4-(4-methoxyphenoxy)aniline
CID 63675944
4-(4-ethoxyphenoxy)-2-propoxyaniline
CID 63676127
4-(3,5-dimethylphenoxy)-2-ethoxyaniline
CID 63676933
4-(3,4-dimethylphenoxy)-2-ethoxyaniline
CID 63676735
2-ethoxy-4-(4-methylsulfonylphenoxy)aniline
CID 63676144
2-ethoxy-4-propoxyaniline
CID 63677806
4-(4-chloro-3-methylphenoxy)-2-ethoxyaniline
CID 63676742
4-(4-methoxyphenoxy)-2-propoxyaniline
CID 63675755
4-(4-ethylphenoxy)-2-methoxyaniline
CID 63678406
2-ethoxy-4-pentoxyaniline
CID 63678215
4-(2-aminoethyl)-2-ethoxyaniline
CID 91191224
3-methoxy-5-(4-propylphenoxy)aniline
CID 80749252

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-(4-propylphenoxy)aniline?
The IUPAC name of 2-ethoxy-4-(4-propylphenoxy)aniline (CID 63675228) is 2-ethoxy-4-(4-propylphenoxy)aniline.
What is the SMILES notation for 2-ethoxy-4-(4-propylphenoxy)aniline?
The canonical SMILES for 2-ethoxy-4-(4-propylphenoxy)aniline is CCCc1ccc(Oc2ccc(N)c(OCC)c2)cc1.
What is the InChIKey of 2-ethoxy-4-(4-propylphenoxy)aniline?
The InChIKey is SFHHJXKCCGJUAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-3-5-13-6-8-14(9-7-13)20-15-10-11-16(18)17(12-15)19-4-2/h6-12H,3-5,18H2,1-2H3.
What are the key properties of 2-ethoxy-4-(4-propylphenoxy)aniline?
2-ethoxy-4-(4-propylphenoxy)aniline has a molecular weight of 271.36 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-(4-propylphenoxy)aniline is sourced from PubChem (CID 63675228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).