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

C20H19N — CID 150274676

IUPAC2-[2-(4-ethylphenyl)phenyl]aniline
SMILESCCc1ccc(-c2ccccc2-c2ccccc2N)cc1
InChIInChI=1S/C20H19N/c1-2-15-11-13-16(14-12-15)17-7-3-4-8-18(17)19-9-5-6-10-20(19)21/h3-14H,2,21H2,1H3
InChIKeyGEHOGUXHEDLUFF-UHFFFAOYSA-N
MW273.38 g/mol
LogP5.17
Rot. Bonds3

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

2-[2-(4-ethylphenyl)phenyl]aniline (PubChem CID 150274676) has the molecular formula C20H19N and a molecular weight of 273.38 g/mol. Its IUPAC name is 2-[2-(4-ethylphenyl)phenyl]aniline.

Molecular Properties

Compound Name2-[2-(4-ethylphenyl)phenyl]aniline
PubChem CID150274676
Molecular FormulaC20H19N
Molecular Weight273.38 g/mol
Exact Mass273.15
IUPAC Name2-[2-(4-ethylphenyl)phenyl]aniline
SMILESCCc1ccc(-c2ccccc2-c2ccccc2N)cc1
InChIInChI=1S/C20H19N/c1-2-15-11-13-16(14-12-15)17-7-3-4-8-18(17)19-9-5-6-10-20(19)21/h3-14H,2,21H2,1H3
InChIKeyGEHOGUXHEDLUFF-UHFFFAOYSA-N
XLogP5.17
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.38
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-[2-(4-ethylphenyl)phenyl]aniline?
The IUPAC name of 2-[2-(4-ethylphenyl)phenyl]aniline (CID 150274676) is 2-[2-(4-ethylphenyl)phenyl]aniline.
What is the SMILES notation for 2-[2-(4-ethylphenyl)phenyl]aniline?
The canonical SMILES for 2-[2-(4-ethylphenyl)phenyl]aniline is CCc1ccc(-c2ccccc2-c2ccccc2N)cc1.
What is the InChIKey of 2-[2-(4-ethylphenyl)phenyl]aniline?
The InChIKey is GEHOGUXHEDLUFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N/c1-2-15-11-13-16(14-12-15)17-7-3-4-8-18(17)19-9-5-6-10-20(19)21/h3-14H,2,21H2,1H3.
What are the key properties of 2-[2-(4-ethylphenyl)phenyl]aniline?
2-[2-(4-ethylphenyl)phenyl]aniline has a molecular weight of 273.38 g/mol, XLogP of 5.17, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-ethylphenyl)phenyl]aniline is sourced from PubChem (CID 150274676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).