3-(4-chlorophenyl)-4-methoxyaniline

C13H12ClNO — CID 13059041

IUPAC3-(4-chlorophenyl)-4-methoxyaniline
SMILESCOc1ccc(N)cc1-c1ccc(Cl)cc1
InChIInChI=1S/C13H12ClNO/c1-16-13-7-6-11(15)8-12(13)9-2-4-10(14)5-3-9/h2-8H,15H2,1H3
InChIKeyFXDLCVWCDSGXRS-UHFFFAOYSA-N
MW233.70 g/mol
LogP3.60
Rot. Bonds2

About 3-(4-chlorophenyl)-4-methoxyaniline

3-(4-chlorophenyl)-4-methoxyaniline (PubChem CID 13059041) has the molecular formula C13H12ClNO and a molecular weight of 233.70 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-4-methoxyaniline.

Molecular Properties

Compound Name3-(4-chlorophenyl)-4-methoxyaniline
PubChem CID13059041
Molecular FormulaC13H12ClNO
Molecular Weight233.70 g/mol
Exact Mass233.06
IUPAC Name3-(4-chlorophenyl)-4-methoxyaniline
SMILESCOc1ccc(N)cc1-c1ccc(Cl)cc1
InChIInChI=1S/C13H12ClNO/c1-16-13-7-6-11(15)8-12(13)9-2-4-10(14)5-3-9/h2-8H,15H2,1H3
InChIKeyFXDLCVWCDSGXRS-UHFFFAOYSA-N
XLogP3.60
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 ≤ 53.60
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 3-(4-chlorophenyl)-4-methoxyaniline?
The IUPAC name of 3-(4-chlorophenyl)-4-methoxyaniline (CID 13059041) is 3-(4-chlorophenyl)-4-methoxyaniline.
What is the SMILES notation for 3-(4-chlorophenyl)-4-methoxyaniline?
The canonical SMILES for 3-(4-chlorophenyl)-4-methoxyaniline is COc1ccc(N)cc1-c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-4-methoxyaniline?
The InChIKey is FXDLCVWCDSGXRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO/c1-16-13-7-6-11(15)8-12(13)9-2-4-10(14)5-3-9/h2-8H,15H2,1H3.
What are the key properties of 3-(4-chlorophenyl)-4-methoxyaniline?
3-(4-chlorophenyl)-4-methoxyaniline has a molecular weight of 233.70 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-4-methoxyaniline is sourced from PubChem (CID 13059041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).