1-(2-fluoro-4,6-dimethylphenyl)-N-methylbutan-2-imine

C13H18FN — CID 170264537

IUPAC1-(2-fluoro-4,6-dimethylphenyl)-N-methylbutan-2-imine
SMILESCC/C(Cc1c(C)cc(C)cc1F)=N\C
InChIInChI=1S/C13H18FN/c1-5-11(15-4)8-12-10(3)6-9(2)7-13(12)14/h6-7H,5,8H2,1-4H3/b15-11+
InChIKeyZGABSISLFQWHSB-RVDMUPIBSA-N
MW207.29 g/mol
LogP3.47
Rot. Bonds3

About 1-(2-fluoro-4,6-dimethylphenyl)-N-methylbutan-2-imine

1-(2-fluoro-4,6-dimethylphenyl)-N-methylbutan-2-imine (PubChem CID 170264537) has the molecular formula C13H18FN and a molecular weight of 207.29 g/mol. Its IUPAC name is 1-(2-fluoro-4,6-dimethylphenyl)-N-methylbutan-2-imine.

Molecular Properties

Compound Name1-(2-fluoro-4,6-dimethylphenyl)-N-methylbutan-2-imine
PubChem CID170264537
Molecular FormulaC13H18FN
Molecular Weight207.29 g/mol
Exact Mass207.14
IUPAC Name1-(2-fluoro-4,6-dimethylphenyl)-N-methylbutan-2-imine
SMILESCC/C(Cc1c(C)cc(C)cc1F)=N\C
InChIInChI=1S/C13H18FN/c1-5-11(15-4)8-12-10(3)6-9(2)7-13(12)14/h6-7H,5,8H2,1-4H3/b15-11+
InChIKeyZGABSISLFQWHSB-RVDMUPIBSA-N
XLogP3.47
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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(2-fluoro-4,6-dimethylphenyl)methylhydrazine
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2-(3-chloropentyl)-1-fluoro-3,5-dimethylbenzene
CID 106882568
1-(2-fluoro-4,6-dimethylphenyl)propan-1-one
CID 106880723
(2,6-difluoro-4-methylphenyl)methanamine
CID 118595303
1-(4-fluorophenyl)-2-(2,4,6-trimethylphenyl)ethanone
CID 62549306
1-(2-fluoro-3,5-dimethylphenyl)propan-1-one
CID 83988890
cyclopropylidene-[3-fluoro-5-methyl-4-(2-methyliminopropyl)phenyl]methanamine
CID 142452053
1-(2,4-difluoro-5-methylphenyl)-2-(2,4,6-trimethylphenyl)ethanone
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ethane;(2,4,6-trimethylphenyl)methanol
CID 143599991

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-4,6-dimethylphenyl)-N-methylbutan-2-imine?
The IUPAC name of 1-(2-fluoro-4,6-dimethylphenyl)-N-methylbutan-2-imine (CID 170264537) is 1-(2-fluoro-4,6-dimethylphenyl)-N-methylbutan-2-imine.
What is the SMILES notation for 1-(2-fluoro-4,6-dimethylphenyl)-N-methylbutan-2-imine?
The canonical SMILES for 1-(2-fluoro-4,6-dimethylphenyl)-N-methylbutan-2-imine is CC/C(Cc1c(C)cc(C)cc1F)=N\C.
What is the InChIKey of 1-(2-fluoro-4,6-dimethylphenyl)-N-methylbutan-2-imine?
The InChIKey is ZGABSISLFQWHSB-RVDMUPIBSA-N. The full InChI is InChI=1S/C13H18FN/c1-5-11(15-4)8-12-10(3)6-9(2)7-13(12)14/h6-7H,5,8H2,1-4H3/b15-11+.
What are the key properties of 1-(2-fluoro-4,6-dimethylphenyl)-N-methylbutan-2-imine?
1-(2-fluoro-4,6-dimethylphenyl)-N-methylbutan-2-imine has a molecular weight of 207.29 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-4,6-dimethylphenyl)-N-methylbutan-2-imine is sourced from PubChem (CID 170264537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).