4-phenylaniline;hydrochloride

C12H12ClN — CID 5284341

IUPAC4-phenylaniline;hydrochloride
SMILESCl.Nc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H11N.ClH/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10;/h1-9H,13H2;1H
InChIKeyGUHXYHYUBFCYGJ-UHFFFAOYSA-N
MW205.69 g/mol
LogP3.36
Rot. Bonds1

About 4-phenylaniline;hydrochloride

4-phenylaniline;hydrochloride (PubChem CID 5284341) has the molecular formula C12H12ClN and a molecular weight of 205.69 g/mol. Its IUPAC name is 4-phenylaniline;hydrochloride.

Molecular Properties

Compound Name4-phenylaniline;hydrochloride
PubChem CID5284341
Molecular FormulaC12H12ClN
Molecular Weight205.69 g/mol
Exact Mass205.07
IUPAC Name4-phenylaniline;hydrochloride
SMILESCl.Nc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H11N.ClH/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10;/h1-9H,13H2;1H
InChIKeyGUHXYHYUBFCYGJ-UHFFFAOYSA-N
XLogP3.36
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.69
LogP ≤ 53.36
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 4-phenylaniline;hydrochloride?
The IUPAC name of 4-phenylaniline;hydrochloride (CID 5284341) is 4-phenylaniline;hydrochloride.
What is the SMILES notation for 4-phenylaniline;hydrochloride?
The canonical SMILES for 4-phenylaniline;hydrochloride is Cl.Nc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 4-phenylaniline;hydrochloride?
The InChIKey is GUHXYHYUBFCYGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N.ClH/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10;/h1-9H,13H2;1H.
What are the key properties of 4-phenylaniline;hydrochloride?
4-phenylaniline;hydrochloride has a molecular weight of 205.69 g/mol, XLogP of 3.36, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenylaniline;hydrochloride is sourced from PubChem (CID 5284341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).