2-(4-chlorophenoxy)-4-methylaniline

C13H12ClNO — CID 26189592

IUPAC2-(4-chlorophenoxy)-4-methylaniline
SMILESCc1ccc(N)c(Oc2ccc(Cl)cc2)c1
InChIInChI=1S/C13H12ClNO/c1-9-2-7-12(15)13(8-9)16-11-5-3-10(14)4-6-11/h2-8H,15H2,1H3
InChIKeyRTYTYJAUNOZUAG-UHFFFAOYSA-N
MW233.70 g/mol
LogP4.02
Rot. Bonds2

About 2-(4-chlorophenoxy)-4-methylaniline

2-(4-chlorophenoxy)-4-methylaniline (PubChem CID 26189592) has the molecular formula C13H12ClNO and a molecular weight of 233.70 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-4-methylaniline.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-4-methylaniline
PubChem CID26189592
Molecular FormulaC13H12ClNO
Molecular Weight233.70 g/mol
Exact Mass233.06
IUPAC Name2-(4-chlorophenoxy)-4-methylaniline
SMILESCc1ccc(N)c(Oc2ccc(Cl)cc2)c1
InChIInChI=1S/C13H12ClNO/c1-9-2-7-12(15)13(8-9)16-11-5-3-10(14)4-6-11/h2-8H,15H2,1H3
InChIKeyRTYTYJAUNOZUAG-UHFFFAOYSA-N
XLogP4.02
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.70
LogP ≤ 54.02
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-chlorophenoxy)-4-methylaniline?
The IUPAC name of 2-(4-chlorophenoxy)-4-methylaniline (CID 26189592) is 2-(4-chlorophenoxy)-4-methylaniline.
What is the SMILES notation for 2-(4-chlorophenoxy)-4-methylaniline?
The canonical SMILES for 2-(4-chlorophenoxy)-4-methylaniline is Cc1ccc(N)c(Oc2ccc(Cl)cc2)c1.
What is the InChIKey of 2-(4-chlorophenoxy)-4-methylaniline?
The InChIKey is RTYTYJAUNOZUAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO/c1-9-2-7-12(15)13(8-9)16-11-5-3-10(14)4-6-11/h2-8H,15H2,1H3.
What are the key properties of 2-(4-chlorophenoxy)-4-methylaniline?
2-(4-chlorophenoxy)-4-methylaniline has a molecular weight of 233.70 g/mol, XLogP of 4.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-4-methylaniline is sourced from PubChem (CID 26189592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).