4-[(2-chlorophenyl)methoxy]aniline;hydrochloride

C13H13Cl2NO — CID 2790525

IUPAC4-[(2-chlorophenyl)methoxy]aniline;hydrochloride
SMILESCl.Nc1ccc(OCc2ccccc2Cl)cc1
InChIInChI=1S/C13H12ClNO.ClH/c14-13-4-2-1-3-10(13)9-16-12-7-5-11(15)6-8-12;/h1-8H,9,15H2;1H
InChIKeyHSSQARGEQFUOMG-UHFFFAOYSA-N
MW270.16 g/mol
LogP3.92
Rot. Bonds3

About 4-[(2-chlorophenyl)methoxy]aniline;hydrochloride

4-[(2-chlorophenyl)methoxy]aniline;hydrochloride (PubChem CID 2790525) has the molecular formula C13H13Cl2NO and a molecular weight of 270.16 g/mol. Its IUPAC name is 4-[(2-chlorophenyl)methoxy]aniline;hydrochloride.

Molecular Properties

Compound Name4-[(2-chlorophenyl)methoxy]aniline;hydrochloride
PubChem CID2790525
Molecular FormulaC13H13Cl2NO
Molecular Weight270.16 g/mol
Exact Mass269.04
IUPAC Name4-[(2-chlorophenyl)methoxy]aniline;hydrochloride
SMILESCl.Nc1ccc(OCc2ccccc2Cl)cc1
InChIInChI=1S/C13H12ClNO.ClH/c14-13-4-2-1-3-10(13)9-16-12-7-5-11(15)6-8-12;/h1-8H,9,15H2;1H
InChIKeyHSSQARGEQFUOMG-UHFFFAOYSA-N
XLogP3.92
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.16
LogP ≤ 53.92
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-[(2-chlorophenyl)methoxy]aniline;hydrochloride?
The IUPAC name of 4-[(2-chlorophenyl)methoxy]aniline;hydrochloride (CID 2790525) is 4-[(2-chlorophenyl)methoxy]aniline;hydrochloride.
What is the SMILES notation for 4-[(2-chlorophenyl)methoxy]aniline;hydrochloride?
The canonical SMILES for 4-[(2-chlorophenyl)methoxy]aniline;hydrochloride is Cl.Nc1ccc(OCc2ccccc2Cl)cc1.
What is the InChIKey of 4-[(2-chlorophenyl)methoxy]aniline;hydrochloride?
The InChIKey is HSSQARGEQFUOMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO.ClH/c14-13-4-2-1-3-10(13)9-16-12-7-5-11(15)6-8-12;/h1-8H,9,15H2;1H.
What are the key properties of 4-[(2-chlorophenyl)methoxy]aniline;hydrochloride?
4-[(2-chlorophenyl)methoxy]aniline;hydrochloride has a molecular weight of 270.16 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chlorophenyl)methoxy]aniline;hydrochloride is sourced from PubChem (CID 2790525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).