3-[(4-chlorophenyl)methoxy]aniline

C13H12ClNO — CID 23010256

IUPAC3-[(4-chlorophenyl)methoxy]aniline
SMILESNc1cccc(OCc2ccc(Cl)cc2)c1
InChIInChI=1S/C13H12ClNO/c14-11-6-4-10(5-7-11)9-16-13-3-1-2-12(15)8-13/h1-8H,9,15H2
InChIKeyCHDORYQMOGJXJT-UHFFFAOYSA-N
MW233.70 g/mol
LogP3.50
Rot. Bonds3

About 3-[(4-chlorophenyl)methoxy]aniline

3-[(4-chlorophenyl)methoxy]aniline (PubChem CID 23010256) has the molecular formula C13H12ClNO and a molecular weight of 233.70 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)methoxy]aniline.

Molecular Properties

Compound Name3-[(4-chlorophenyl)methoxy]aniline
PubChem CID23010256
Molecular FormulaC13H12ClNO
Molecular Weight233.70 g/mol
Exact Mass233.06
IUPAC Name3-[(4-chlorophenyl)methoxy]aniline
SMILESNc1cccc(OCc2ccc(Cl)cc2)c1
InChIInChI=1S/C13H12ClNO/c14-11-6-4-10(5-7-11)9-16-13-3-1-2-12(15)8-13/h1-8H,9,15H2
InChIKeyCHDORYQMOGJXJT-UHFFFAOYSA-N
XLogP3.50
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.70
LogP ≤ 53.50
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)methoxy]aniline?
The IUPAC name of 3-[(4-chlorophenyl)methoxy]aniline (CID 23010256) is 3-[(4-chlorophenyl)methoxy]aniline.
What is the SMILES notation for 3-[(4-chlorophenyl)methoxy]aniline?
The canonical SMILES for 3-[(4-chlorophenyl)methoxy]aniline is Nc1cccc(OCc2ccc(Cl)cc2)c1.
What is the InChIKey of 3-[(4-chlorophenyl)methoxy]aniline?
The InChIKey is CHDORYQMOGJXJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO/c14-11-6-4-10(5-7-11)9-16-13-3-1-2-12(15)8-13/h1-8H,9,15H2.
What are the key properties of 3-[(4-chlorophenyl)methoxy]aniline?
3-[(4-chlorophenyl)methoxy]aniline has a molecular weight of 233.70 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)methoxy]aniline is sourced from PubChem (CID 23010256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).