2-[4-(4-ethylphenyl)phenoxy]aniline

C20H19NO — CID 170400080

IUPAC2-[4-(4-ethylphenyl)phenoxy]aniline
SMILESCCc1ccc(-c2ccc(Oc3ccccc3N)cc2)cc1
InChIInChI=1S/C20H19NO/c1-2-15-7-9-16(10-8-15)17-11-13-18(14-12-17)22-20-6-4-3-5-19(20)21/h3-14H,2,21H2,1H3
InChIKeyZAXOEKRHCAGLII-UHFFFAOYSA-N
MW289.38 g/mol
LogP5.29
Rot. Bonds4

About 2-[4-(4-ethylphenyl)phenoxy]aniline

2-[4-(4-ethylphenyl)phenoxy]aniline (PubChem CID 170400080) has the molecular formula C20H19NO and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-[4-(4-ethylphenyl)phenoxy]aniline.

Molecular Properties

Compound Name2-[4-(4-ethylphenyl)phenoxy]aniline
PubChem CID170400080
Molecular FormulaC20H19NO
Molecular Weight289.38 g/mol
Exact Mass289.15
IUPAC Name2-[4-(4-ethylphenyl)phenoxy]aniline
SMILESCCc1ccc(-c2ccc(Oc3ccccc3N)cc2)cc1
InChIInChI=1S/C20H19NO/c1-2-15-7-9-16(10-8-15)17-11-13-18(14-12-17)22-20-6-4-3-5-19(20)21/h3-14H,2,21H2,1H3
InChIKeyZAXOEKRHCAGLII-UHFFFAOYSA-N
XLogP5.29
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.38
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-ethylphenyl)phenoxy]aniline?
The IUPAC name of 2-[4-(4-ethylphenyl)phenoxy]aniline (CID 170400080) is 2-[4-(4-ethylphenyl)phenoxy]aniline.
What is the SMILES notation for 2-[4-(4-ethylphenyl)phenoxy]aniline?
The canonical SMILES for 2-[4-(4-ethylphenyl)phenoxy]aniline is CCc1ccc(-c2ccc(Oc3ccccc3N)cc2)cc1.
What is the InChIKey of 2-[4-(4-ethylphenyl)phenoxy]aniline?
The InChIKey is ZAXOEKRHCAGLII-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO/c1-2-15-7-9-16(10-8-15)17-11-13-18(14-12-17)22-20-6-4-3-5-19(20)21/h3-14H,2,21H2,1H3.
What are the key properties of 2-[4-(4-ethylphenyl)phenoxy]aniline?
2-[4-(4-ethylphenyl)phenoxy]aniline has a molecular weight of 289.38 g/mol, XLogP of 5.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-ethylphenyl)phenoxy]aniline is sourced from PubChem (CID 170400080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).