1-(4-nitrophenyl)-N-phenylethanimine

C14H12N2O2 — CID 641178

IUPAC1-(4-nitrophenyl)-N-phenylethanimine
SMILESC/C(=N\c1ccccc1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H12N2O2/c1-11(15-13-5-3-2-4-6-13)12-7-9-14(10-8-12)16(17)18/h2-10H,1H3/b15-11+
InChIKeyKAFLIVPUBWCPSR-RVDMUPIBSA-N
MW240.26 g/mol
LogP3.74
Rot. Bonds3

About 1-(4-nitrophenyl)-N-phenylethanimine

1-(4-nitrophenyl)-N-phenylethanimine (PubChem CID 641178) has the molecular formula C14H12N2O2 and a molecular weight of 240.26 g/mol. Its IUPAC name is 1-(4-nitrophenyl)-N-phenylethanimine.

Molecular Properties

Compound Name1-(4-nitrophenyl)-N-phenylethanimine
PubChem CID641178
Molecular FormulaC14H12N2O2
Molecular Weight240.26 g/mol
Exact Mass240.09
IUPAC Name1-(4-nitrophenyl)-N-phenylethanimine
SMILESC/C(=N\c1ccccc1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H12N2O2/c1-11(15-13-5-3-2-4-6-13)12-7-9-14(10-8-12)16(17)18/h2-10H,1H3/b15-11+
InChIKeyKAFLIVPUBWCPSR-RVDMUPIBSA-N
XLogP3.74
TPSA55.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-nitrophenyl)-N-phenylethanimine?
The IUPAC name of 1-(4-nitrophenyl)-N-phenylethanimine (CID 641178) is 1-(4-nitrophenyl)-N-phenylethanimine.
What is the SMILES notation for 1-(4-nitrophenyl)-N-phenylethanimine?
The canonical SMILES for 1-(4-nitrophenyl)-N-phenylethanimine is C/C(=N\c1ccccc1)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 1-(4-nitrophenyl)-N-phenylethanimine?
The InChIKey is KAFLIVPUBWCPSR-RVDMUPIBSA-N. The full InChI is InChI=1S/C14H12N2O2/c1-11(15-13-5-3-2-4-6-13)12-7-9-14(10-8-12)16(17)18/h2-10H,1H3/b15-11+.
What are the key properties of 1-(4-nitrophenyl)-N-phenylethanimine?
1-(4-nitrophenyl)-N-phenylethanimine has a molecular weight of 240.26 g/mol, XLogP of 3.74, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-nitrophenyl)-N-phenylethanimine is sourced from PubChem (CID 641178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).