N-(2-isocyanophenyl)-1-phenylethanimine

C15H12N2 — CID 11304476

IUPACN-(2-isocyanophenyl)-1-phenylethanimine
SMILES[C-]#[N+]c1ccccc1/N=C(\C)c1ccccc1
InChIInChI=1S/C15H12N2/c1-12(13-8-4-3-5-9-13)17-15-11-7-6-10-14(15)16-2/h3-11H,1H3/b17-12+
InChIKeyINKKRPAGLBZRGJ-SFQUDFHCSA-N
MW220.28 g/mol
LogP4.38
Rot. Bonds2

About N-(2-isocyanophenyl)-1-phenylethanimine

N-(2-isocyanophenyl)-1-phenylethanimine (PubChem CID 11304476) has the molecular formula C15H12N2 and a molecular weight of 220.28 g/mol. Its IUPAC name is N-(2-isocyanophenyl)-1-phenylethanimine.

Molecular Properties

Compound NameN-(2-isocyanophenyl)-1-phenylethanimine
PubChem CID11304476
Molecular FormulaC15H12N2
Molecular Weight220.28 g/mol
Exact Mass220.10
IUPAC NameN-(2-isocyanophenyl)-1-phenylethanimine
SMILES[C-]#[N+]c1ccccc1/N=C(\C)c1ccccc1
InChIInChI=1S/C15H12N2/c1-12(13-8-4-3-5-9-13)17-15-11-7-6-10-14(15)16-2/h3-11H,1H3/b17-12+
InChIKeyINKKRPAGLBZRGJ-SFQUDFHCSA-N
XLogP4.38
TPSA16.72 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-isocyanophenyl)-1-phenylethanimine?
The IUPAC name of N-(2-isocyanophenyl)-1-phenylethanimine (CID 11304476) is N-(2-isocyanophenyl)-1-phenylethanimine.
What is the SMILES notation for N-(2-isocyanophenyl)-1-phenylethanimine?
The canonical SMILES for N-(2-isocyanophenyl)-1-phenylethanimine is [C-]#[N+]c1ccccc1/N=C(\C)c1ccccc1.
What is the InChIKey of N-(2-isocyanophenyl)-1-phenylethanimine?
The InChIKey is INKKRPAGLBZRGJ-SFQUDFHCSA-N. The full InChI is InChI=1S/C15H12N2/c1-12(13-8-4-3-5-9-13)17-15-11-7-6-10-14(15)16-2/h3-11H,1H3/b17-12+.
What are the key properties of N-(2-isocyanophenyl)-1-phenylethanimine?
N-(2-isocyanophenyl)-1-phenylethanimine has a molecular weight of 220.28 g/mol, XLogP of 4.38, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-isocyanophenyl)-1-phenylethanimine is sourced from PubChem (CID 11304476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).