4-(4-chlorophenoxy)aniline

C12H10ClNO — CID 7578

IUPAC4-(4-chlorophenoxy)aniline
SMILESNc1ccc(Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C12H10ClNO/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8H,14H2
InChIKeyYTISFYMPVILQRL-UHFFFAOYSA-N
MW219.67 g/mol
LogP3.71
Rot. Bonds2

About 4-(4-chlorophenoxy)aniline

4-(4-chlorophenoxy)aniline (PubChem CID 7578) has the molecular formula C12H10ClNO and a molecular weight of 219.67 g/mol. Its IUPAC name is 4-(4-chlorophenoxy)aniline.

Molecular Properties

Compound Name4-(4-chlorophenoxy)aniline
PubChem CID7578
Molecular FormulaC12H10ClNO
Molecular Weight219.67 g/mol
Exact Mass219.05
IUPAC Name4-(4-chlorophenoxy)aniline
SMILESNc1ccc(Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C12H10ClNO/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8H,14H2
InChIKeyYTISFYMPVILQRL-UHFFFAOYSA-N
XLogP3.71
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.67
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenoxy)aniline?
The IUPAC name of 4-(4-chlorophenoxy)aniline (CID 7578) is 4-(4-chlorophenoxy)aniline.
What is the SMILES notation for 4-(4-chlorophenoxy)aniline?
The canonical SMILES for 4-(4-chlorophenoxy)aniline is Nc1ccc(Oc2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-(4-chlorophenoxy)aniline?
The InChIKey is YTISFYMPVILQRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNO/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8H,14H2.
What are the key properties of 4-(4-chlorophenoxy)aniline?
4-(4-chlorophenoxy)aniline has a molecular weight of 219.67 g/mol, XLogP of 3.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenoxy)aniline is sourced from PubChem (CID 7578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).