5-chloro-2-(4-methylphenoxy)aniline;hydrochloride

C13H13Cl2NO — CID 43810394

IUPAC5-chloro-2-(4-methylphenoxy)aniline;hydrochloride
SMILESCc1ccc(Oc2ccc(Cl)cc2N)cc1.Cl
InChIInChI=1S/C13H12ClNO.ClH/c1-9-2-5-11(6-3-9)16-13-7-4-10(14)8-12(13)15;/h2-8H,15H2,1H3;1H
InChIKeyNZYJJECYGIOGOH-UHFFFAOYSA-N
MW270.16 g/mol
LogP4.44
Rot. Bonds2

About 5-chloro-2-(4-methylphenoxy)aniline;hydrochloride

5-chloro-2-(4-methylphenoxy)aniline;hydrochloride (PubChem CID 43810394) has the molecular formula C13H13Cl2NO and a molecular weight of 270.16 g/mol. Its IUPAC name is 5-chloro-2-(4-methylphenoxy)aniline;hydrochloride.

Molecular Properties

Compound Name5-chloro-2-(4-methylphenoxy)aniline;hydrochloride
PubChem CID43810394
Molecular FormulaC13H13Cl2NO
Molecular Weight270.16 g/mol
Exact Mass269.04
IUPAC Name5-chloro-2-(4-methylphenoxy)aniline;hydrochloride
SMILESCc1ccc(Oc2ccc(Cl)cc2N)cc1.Cl
InChIInChI=1S/C13H12ClNO.ClH/c1-9-2-5-11(6-3-9)16-13-7-4-10(14)8-12(13)15;/h2-8H,15H2,1H3;1H
InChIKeyNZYJJECYGIOGOH-UHFFFAOYSA-N
XLogP4.44
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.16
LogP ≤ 54.44
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 5-chloro-2-(4-methylphenoxy)aniline;hydrochloride?
The IUPAC name of 5-chloro-2-(4-methylphenoxy)aniline;hydrochloride (CID 43810394) is 5-chloro-2-(4-methylphenoxy)aniline;hydrochloride.
What is the SMILES notation for 5-chloro-2-(4-methylphenoxy)aniline;hydrochloride?
The canonical SMILES for 5-chloro-2-(4-methylphenoxy)aniline;hydrochloride is Cc1ccc(Oc2ccc(Cl)cc2N)cc1.Cl.
What is the InChIKey of 5-chloro-2-(4-methylphenoxy)aniline;hydrochloride?
The InChIKey is NZYJJECYGIOGOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO.ClH/c1-9-2-5-11(6-3-9)16-13-7-4-10(14)8-12(13)15;/h2-8H,15H2,1H3;1H.
What are the key properties of 5-chloro-2-(4-methylphenoxy)aniline;hydrochloride?
5-chloro-2-(4-methylphenoxy)aniline;hydrochloride has a molecular weight of 270.16 g/mol, XLogP of 4.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(4-methylphenoxy)aniline;hydrochloride is sourced from PubChem (CID 43810394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).