N-tert-butyl-1-(3-fluoro-2-methylphenyl)methanimine

C12H16FN — CID 89349482

IUPACN-tert-butyl-1-(3-fluoro-2-methylphenyl)methanimine
SMILESCc1c(F)cccc1/C=N/C(C)(C)C
InChIInChI=1S/C12H16FN/c1-9-10(6-5-7-11(9)13)8-14-12(2,3)4/h5-8H,1-4H3/b14-8+
InChIKeyJSKXGLPZYREAND-RIYZIHGNSA-N
MW193.26 g/mol
LogP3.35
Rot. Bonds1

About N-tert-butyl-1-(3-fluoro-2-methylphenyl)methanimine

N-tert-butyl-1-(3-fluoro-2-methylphenyl)methanimine (PubChem CID 89349482) has the molecular formula C12H16FN and a molecular weight of 193.26 g/mol. Its IUPAC name is N-tert-butyl-1-(3-fluoro-2-methylphenyl)methanimine.

Molecular Properties

Compound NameN-tert-butyl-1-(3-fluoro-2-methylphenyl)methanimine
PubChem CID89349482
Molecular FormulaC12H16FN
Molecular Weight193.26 g/mol
Exact Mass193.13
IUPAC NameN-tert-butyl-1-(3-fluoro-2-methylphenyl)methanimine
SMILESCc1c(F)cccc1/C=N/C(C)(C)C
InChIInChI=1S/C12H16FN/c1-9-10(6-5-7-11(9)13)8-14-12(2,3)4/h5-8H,1-4H3/b14-8+
InChIKeyJSKXGLPZYREAND-RIYZIHGNSA-N
XLogP3.35
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.26
LogP ≤ 53.35
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-tert-butyl-1-(3-fluoro-2-methylphenyl)methanimine?
The IUPAC name of N-tert-butyl-1-(3-fluoro-2-methylphenyl)methanimine (CID 89349482) is N-tert-butyl-1-(3-fluoro-2-methylphenyl)methanimine.
What is the SMILES notation for N-tert-butyl-1-(3-fluoro-2-methylphenyl)methanimine?
The canonical SMILES for N-tert-butyl-1-(3-fluoro-2-methylphenyl)methanimine is Cc1c(F)cccc1/C=N/C(C)(C)C.
What is the InChIKey of N-tert-butyl-1-(3-fluoro-2-methylphenyl)methanimine?
The InChIKey is JSKXGLPZYREAND-RIYZIHGNSA-N. The full InChI is InChI=1S/C12H16FN/c1-9-10(6-5-7-11(9)13)8-14-12(2,3)4/h5-8H,1-4H3/b14-8+.
What are the key properties of N-tert-butyl-1-(3-fluoro-2-methylphenyl)methanimine?
N-tert-butyl-1-(3-fluoro-2-methylphenyl)methanimine has a molecular weight of 193.26 g/mol, XLogP of 3.35, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1-(3-fluoro-2-methylphenyl)methanimine is sourced from PubChem (CID 89349482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).