3-chloro-4-phenylaniline;hydrochloride

C12H11Cl2N — CID 91622859

IUPAC3-chloro-4-phenylaniline;hydrochloride
SMILESCl.Nc1ccc(-c2ccccc2)c(Cl)c1
InChIInChI=1S/C12H10ClN.ClH/c13-12-8-10(14)6-7-11(12)9-4-2-1-3-5-9;/h1-8H,14H2;1H
InChIKeyMTWIEONEZXRGJV-UHFFFAOYSA-N
MW240.13 g/mol
LogP4.01
Rot. Bonds1

About 3-chloro-4-phenylaniline;hydrochloride

3-chloro-4-phenylaniline;hydrochloride (PubChem CID 91622859) has the molecular formula C12H11Cl2N and a molecular weight of 240.13 g/mol. Its IUPAC name is 3-chloro-4-phenylaniline;hydrochloride.

Molecular Properties

Compound Name3-chloro-4-phenylaniline;hydrochloride
PubChem CID91622859
Molecular FormulaC12H11Cl2N
Molecular Weight240.13 g/mol
Exact Mass239.03
IUPAC Name3-chloro-4-phenylaniline;hydrochloride
SMILESCl.Nc1ccc(-c2ccccc2)c(Cl)c1
InChIInChI=1S/C12H10ClN.ClH/c13-12-8-10(14)6-7-11(12)9-4-2-1-3-5-9;/h1-8H,14H2;1H
InChIKeyMTWIEONEZXRGJV-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-chloro-4-phenylaniline;hydrochloride?
The IUPAC name of 3-chloro-4-phenylaniline;hydrochloride (CID 91622859) is 3-chloro-4-phenylaniline;hydrochloride.
What is the SMILES notation for 3-chloro-4-phenylaniline;hydrochloride?
The canonical SMILES for 3-chloro-4-phenylaniline;hydrochloride is Cl.Nc1ccc(-c2ccccc2)c(Cl)c1.
What is the InChIKey of 3-chloro-4-phenylaniline;hydrochloride?
The InChIKey is MTWIEONEZXRGJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN.ClH/c13-12-8-10(14)6-7-11(12)9-4-2-1-3-5-9;/h1-8H,14H2;1H.
What are the key properties of 3-chloro-4-phenylaniline;hydrochloride?
3-chloro-4-phenylaniline;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-chloro-4-phenylaniline;hydrochloride is sourced from PubChem (CID 91622859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).