5-chloro-2-(4-phenylphenoxy)aniline

C18H14ClNO — CID 26189318

IUPAC5-chloro-2-(4-phenylphenoxy)aniline
SMILESNc1cc(Cl)ccc1Oc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H14ClNO/c19-15-8-11-18(17(20)12-15)21-16-9-6-14(7-10-16)13-4-2-1-3-5-13/h1-12H,20H2
InChIKeyYSYLSRIOOJRRPV-UHFFFAOYSA-N
MW295.77 g/mol
LogP5.38
Rot. Bonds3

About 5-chloro-2-(4-phenylphenoxy)aniline

5-chloro-2-(4-phenylphenoxy)aniline (PubChem CID 26189318) has the molecular formula C18H14ClNO and a molecular weight of 295.77 g/mol. Its IUPAC name is 5-chloro-2-(4-phenylphenoxy)aniline.

Molecular Properties

Compound Name5-chloro-2-(4-phenylphenoxy)aniline
PubChem CID26189318
Molecular FormulaC18H14ClNO
Molecular Weight295.77 g/mol
Exact Mass295.08
IUPAC Name5-chloro-2-(4-phenylphenoxy)aniline
SMILESNc1cc(Cl)ccc1Oc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H14ClNO/c19-15-8-11-18(17(20)12-15)21-16-9-6-14(7-10-16)13-4-2-1-3-5-13/h1-12H,20H2
InChIKeyYSYLSRIOOJRRPV-UHFFFAOYSA-N
XLogP5.38
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.77
LogP ≤ 55.38
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 5-chloro-2-(4-phenylphenoxy)aniline?
The IUPAC name of 5-chloro-2-(4-phenylphenoxy)aniline (CID 26189318) is 5-chloro-2-(4-phenylphenoxy)aniline.
What is the SMILES notation for 5-chloro-2-(4-phenylphenoxy)aniline?
The canonical SMILES for 5-chloro-2-(4-phenylphenoxy)aniline is Nc1cc(Cl)ccc1Oc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 5-chloro-2-(4-phenylphenoxy)aniline?
The InChIKey is YSYLSRIOOJRRPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClNO/c19-15-8-11-18(17(20)12-15)21-16-9-6-14(7-10-16)13-4-2-1-3-5-13/h1-12H,20H2.
What are the key properties of 5-chloro-2-(4-phenylphenoxy)aniline?
5-chloro-2-(4-phenylphenoxy)aniline has a molecular weight of 295.77 g/mol, XLogP of 5.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(4-phenylphenoxy)aniline is sourced from PubChem (CID 26189318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).