N-(2-chloro-3-phenyliminoprop-1-enyl)aniline;hydrochloride

C15H14Cl2N2 — CID 53413729

IUPACN-(2-chloro-3-phenyliminoprop-1-enyl)aniline;hydrochloride
SMILESCl.ClC(=CNc1ccccc1)/C=N/c1ccccc1
InChIInChI=1S/C15H13ClN2.ClH/c16-13(11-17-14-7-3-1-4-8-14)12-18-15-9-5-2-6-10-15;/h1-12,17H;1H/b13-11?,18-12+;
InChIKeyOLZBVTCFCPEPLI-HEHNWQSUSA-N
MW293.20 g/mol
LogP5.00
Rot. Bonds4

About N-(2-chloro-3-phenyliminoprop-1-enyl)aniline;hydrochloride

N-(2-chloro-3-phenyliminoprop-1-enyl)aniline;hydrochloride (PubChem CID 53413729) has the molecular formula C15H14Cl2N2 and a molecular weight of 293.20 g/mol. Its IUPAC name is N-(2-chloro-3-phenyliminoprop-1-enyl)aniline;hydrochloride.

Molecular Properties

Compound NameN-(2-chloro-3-phenyliminoprop-1-enyl)aniline;hydrochloride
PubChem CID53413729
Molecular FormulaC15H14Cl2N2
Molecular Weight293.20 g/mol
Exact Mass292.05
IUPAC NameN-(2-chloro-3-phenyliminoprop-1-enyl)aniline;hydrochloride
SMILESCl.ClC(=CNc1ccccc1)/C=N/c1ccccc1
InChIInChI=1S/C15H13ClN2.ClH/c16-13(11-17-14-7-3-1-4-8-14)12-18-15-9-5-2-6-10-15;/h1-12,17H;1H/b13-11?,18-12+;
InChIKeyOLZBVTCFCPEPLI-HEHNWQSUSA-N
XLogP5.00
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.20
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-3-phenyliminoprop-1-enyl)aniline;hydrochloride?
The IUPAC name of N-(2-chloro-3-phenyliminoprop-1-enyl)aniline;hydrochloride (CID 53413729) is N-(2-chloro-3-phenyliminoprop-1-enyl)aniline;hydrochloride.
What is the SMILES notation for N-(2-chloro-3-phenyliminoprop-1-enyl)aniline;hydrochloride?
The canonical SMILES for N-(2-chloro-3-phenyliminoprop-1-enyl)aniline;hydrochloride is Cl.ClC(=CNc1ccccc1)/C=N/c1ccccc1.
What is the InChIKey of N-(2-chloro-3-phenyliminoprop-1-enyl)aniline;hydrochloride?
The InChIKey is OLZBVTCFCPEPLI-HEHNWQSUSA-N. The full InChI is InChI=1S/C15H13ClN2.ClH/c16-13(11-17-14-7-3-1-4-8-14)12-18-15-9-5-2-6-10-15;/h1-12,17H;1H/b13-11?,18-12+;.
What are the key properties of N-(2-chloro-3-phenyliminoprop-1-enyl)aniline;hydrochloride?
N-(2-chloro-3-phenyliminoprop-1-enyl)aniline;hydrochloride has a molecular weight of 293.20 g/mol, XLogP of 5.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-3-phenyliminoprop-1-enyl)aniline;hydrochloride is sourced from PubChem (CID 53413729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).