2-phenylaniline;hydrochloride

C12H12ClN — CID 5284347

IUPAC2-phenylaniline;hydrochloride
SMILESCl.Nc1ccccc1-c1ccccc1
InChIInChI=1S/C12H11N.ClH/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;/h1-9H,13H2;1H
InChIKeyQHYYXPLERUSFAV-UHFFFAOYSA-N
MW205.69 g/mol
LogP3.36
Rot. Bonds1

About 2-phenylaniline;hydrochloride

2-phenylaniline;hydrochloride (PubChem CID 5284347) has the molecular formula C12H12ClN and a molecular weight of 205.69 g/mol. Its IUPAC name is 2-phenylaniline;hydrochloride.

Molecular Properties

Compound Name2-phenylaniline;hydrochloride
PubChem CID5284347
Molecular FormulaC12H12ClN
Molecular Weight205.69 g/mol
Exact Mass205.07
IUPAC Name2-phenylaniline;hydrochloride
SMILESCl.Nc1ccccc1-c1ccccc1
InChIInChI=1S/C12H11N.ClH/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;/h1-9H,13H2;1H
InChIKeyQHYYXPLERUSFAV-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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Related Compounds

CID 159962191
CID 159962191
palladium(2+);2-phenylaniline
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CID 102107876
O-[4-(2-aminophenyl)phenyl]hydroxylamine
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3-[2-(4-phenylphenyl)phenyl]benzene-1,2-diamine
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Frequently Asked Questions

What is the IUPAC name of 2-phenylaniline;hydrochloride?
The IUPAC name of 2-phenylaniline;hydrochloride (CID 5284347) is 2-phenylaniline;hydrochloride.
What is the SMILES notation for 2-phenylaniline;hydrochloride?
The canonical SMILES for 2-phenylaniline;hydrochloride is Cl.Nc1ccccc1-c1ccccc1.
What is the InChIKey of 2-phenylaniline;hydrochloride?
The InChIKey is QHYYXPLERUSFAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N.ClH/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;/h1-9H,13H2;1H.
What are the key properties of 2-phenylaniline;hydrochloride?
2-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 2-phenylaniline;hydrochloride is sourced from PubChem (CID 5284347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).