N-[(4-chlorophenyl)methoxy]aniline

C13H12ClNO — CID 142742058

IUPACN-[(4-chlorophenyl)methoxy]aniline
SMILESClc1ccc(CONc2ccccc2)cc1
InChIInChI=1S/C13H12ClNO/c14-12-8-6-11(7-9-12)10-16-15-13-4-2-1-3-5-13/h1-9,15H,10H2
InChIKeyBWMAOCKRTWOTFQ-UHFFFAOYSA-N
MW233.70 g/mol
LogP3.88
Rot. Bonds4

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

N-[(4-chlorophenyl)methoxy]aniline (PubChem CID 142742058) has the molecular formula C13H12ClNO and a molecular weight of 233.70 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methoxy]aniline.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methoxy]aniline
PubChem CID142742058
Molecular FormulaC13H12ClNO
Molecular Weight233.70 g/mol
Exact Mass233.06
IUPAC NameN-[(4-chlorophenyl)methoxy]aniline
SMILESClc1ccc(CONc2ccccc2)cc1
InChIInChI=1S/C13H12ClNO/c14-12-8-6-11(7-9-12)10-16-15-13-4-2-1-3-5-13/h1-9,15H,10H2
InChIKeyBWMAOCKRTWOTFQ-UHFFFAOYSA-N
XLogP3.88
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.70
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methoxy]aniline?
The IUPAC name of N-[(4-chlorophenyl)methoxy]aniline (CID 142742058) is N-[(4-chlorophenyl)methoxy]aniline.
What is the SMILES notation for N-[(4-chlorophenyl)methoxy]aniline?
The canonical SMILES for N-[(4-chlorophenyl)methoxy]aniline is Clc1ccc(CONc2ccccc2)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methoxy]aniline?
The InChIKey is BWMAOCKRTWOTFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO/c14-12-8-6-11(7-9-12)10-16-15-13-4-2-1-3-5-13/h1-9,15H,10H2.
What are the key properties of N-[(4-chlorophenyl)methoxy]aniline?
N-[(4-chlorophenyl)methoxy]aniline has a molecular weight of 233.70 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methoxy]aniline is sourced from PubChem (CID 142742058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).