3-(3-chlorophenyl)aniline;hydrochloride

C12H11Cl2N — CID 2757424

IUPAC3-(3-chlorophenyl)aniline;hydrochloride
SMILESCl.Nc1cccc(-c2cccc(Cl)c2)c1
InChIInChI=1S/C12H10ClN.ClH/c13-11-5-1-3-9(7-11)10-4-2-6-12(14)8-10;/h1-8H,14H2;1H
InChIKeyJEOZJBKHTNUXSQ-UHFFFAOYSA-N
MW240.13 g/mol
LogP4.01
Rot. Bonds1

About 3-(3-chlorophenyl)aniline;hydrochloride

3-(3-chlorophenyl)aniline;hydrochloride (PubChem CID 2757424) has the molecular formula C12H11Cl2N and a molecular weight of 240.13 g/mol. Its IUPAC name is 3-(3-chlorophenyl)aniline;hydrochloride.

Molecular Properties

Compound Name3-(3-chlorophenyl)aniline;hydrochloride
PubChem CID2757424
Molecular FormulaC12H11Cl2N
Molecular Weight240.13 g/mol
Exact Mass239.03
IUPAC Name3-(3-chlorophenyl)aniline;hydrochloride
SMILESCl.Nc1cccc(-c2cccc(Cl)c2)c1
InChIInChI=1S/C12H10ClN.ClH/c13-11-5-1-3-9(7-11)10-4-2-6-12(14)8-10;/h1-8H,14H2;1H
InChIKeyJEOZJBKHTNUXSQ-UHFFFAOYSA-N
XLogP4.01
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.13
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-(3-chlorophenyl)aniline;hydrochloride?
The IUPAC name of 3-(3-chlorophenyl)aniline;hydrochloride (CID 2757424) is 3-(3-chlorophenyl)aniline;hydrochloride.
What is the SMILES notation for 3-(3-chlorophenyl)aniline;hydrochloride?
The canonical SMILES for 3-(3-chlorophenyl)aniline;hydrochloride is Cl.Nc1cccc(-c2cccc(Cl)c2)c1.
What is the InChIKey of 3-(3-chlorophenyl)aniline;hydrochloride?
The InChIKey is JEOZJBKHTNUXSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN.ClH/c13-11-5-1-3-9(7-11)10-4-2-6-12(14)8-10;/h1-8H,14H2;1H.
What are the key properties of 3-(3-chlorophenyl)aniline;hydrochloride?
3-(3-chlorophenyl)aniline;hydrochloride has a molecular weight of 240.13 g/mol, XLogP of 4.01, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)aniline;hydrochloride is sourced from PubChem (CID 2757424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).