N-[2,6-di(propan-2-yl)phenyl]-1-(2-fluorophenyl)methanimine

C19H22FN — CID 71365591

IUPACN-[2,6-di(propan-2-yl)phenyl]-1-(2-fluorophenyl)methanimine
SMILESCC(C)c1cccc(C(C)C)c1/N=C/c1ccccc1F
InChIInChI=1S/C19H22FN/c1-13(2)16-9-7-10-17(14(3)4)19(16)21-12-15-8-5-6-11-18(15)20/h5-14H,1-4H3/b21-12+
InChIKeyWBGISVLPEBIPPP-CIAFOILYSA-N
MW283.39 g/mol
LogP5.82
Rot. Bonds4

About N-[2,6-di(propan-2-yl)phenyl]-1-(2-fluorophenyl)methanimine

N-[2,6-di(propan-2-yl)phenyl]-1-(2-fluorophenyl)methanimine (PubChem CID 71365591) has the molecular formula C19H22FN and a molecular weight of 283.39 g/mol. Its IUPAC name is N-[2,6-di(propan-2-yl)phenyl]-1-(2-fluorophenyl)methanimine.

Molecular Properties

Compound NameN-[2,6-di(propan-2-yl)phenyl]-1-(2-fluorophenyl)methanimine
PubChem CID71365591
Molecular FormulaC19H22FN
Molecular Weight283.39 g/mol
Exact Mass283.17
IUPAC NameN-[2,6-di(propan-2-yl)phenyl]-1-(2-fluorophenyl)methanimine
SMILESCC(C)c1cccc(C(C)C)c1/N=C/c1ccccc1F
InChIInChI=1S/C19H22FN/c1-13(2)16-9-7-10-17(14(3)4)19(16)21-12-15-8-5-6-11-18(15)20/h5-14H,1-4H3/b21-12+
InChIKeyWBGISVLPEBIPPP-CIAFOILYSA-N
XLogP5.82
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.39
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-[2,6-di(propan-2-yl)phenyl]-1-(2-fluorophenyl)methanimine?
The IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-1-(2-fluorophenyl)methanimine (CID 71365591) is N-[2,6-di(propan-2-yl)phenyl]-1-(2-fluorophenyl)methanimine.
What is the SMILES notation for N-[2,6-di(propan-2-yl)phenyl]-1-(2-fluorophenyl)methanimine?
The canonical SMILES for N-[2,6-di(propan-2-yl)phenyl]-1-(2-fluorophenyl)methanimine is CC(C)c1cccc(C(C)C)c1/N=C/c1ccccc1F.
What is the InChIKey of N-[2,6-di(propan-2-yl)phenyl]-1-(2-fluorophenyl)methanimine?
The InChIKey is WBGISVLPEBIPPP-CIAFOILYSA-N. The full InChI is InChI=1S/C19H22FN/c1-13(2)16-9-7-10-17(14(3)4)19(16)21-12-15-8-5-6-11-18(15)20/h5-14H,1-4H3/b21-12+.
What are the key properties of N-[2,6-di(propan-2-yl)phenyl]-1-(2-fluorophenyl)methanimine?
N-[2,6-di(propan-2-yl)phenyl]-1-(2-fluorophenyl)methanimine has a molecular weight of 283.39 g/mol, XLogP of 5.82, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,6-di(propan-2-yl)phenyl]-1-(2-fluorophenyl)methanimine is sourced from PubChem (CID 71365591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).