N-(2-fluoro-6-methylphenyl)butan-2-imine

C11H14FN — CID 142004237

IUPACN-(2-fluoro-6-methylphenyl)butan-2-imine
SMILESCC/C(C)=N/c1c(C)cccc1F
InChIInChI=1S/C11H14FN/c1-4-9(3)13-11-8(2)6-5-7-10(11)12/h5-7H,4H2,1-3H3/b13-9+
InChIKeyUYHNGDGQOURZNW-UKTHLTGXSA-N
MW179.24 g/mol
LogP3.64
Rot. Bonds2

About N-(2-fluoro-6-methylphenyl)butan-2-imine

N-(2-fluoro-6-methylphenyl)butan-2-imine (PubChem CID 142004237) has the molecular formula C11H14FN and a molecular weight of 179.24 g/mol. Its IUPAC name is N-(2-fluoro-6-methylphenyl)butan-2-imine.

Molecular Properties

Compound NameN-(2-fluoro-6-methylphenyl)butan-2-imine
PubChem CID142004237
Molecular FormulaC11H14FN
Molecular Weight179.24 g/mol
Exact Mass179.11
IUPAC NameN-(2-fluoro-6-methylphenyl)butan-2-imine
SMILESCC/C(C)=N/c1c(C)cccc1F
InChIInChI=1S/C11H14FN/c1-4-9(3)13-11-8(2)6-5-7-10(11)12/h5-7H,4H2,1-3H3/b13-9+
InChIKeyUYHNGDGQOURZNW-UKTHLTGXSA-N
XLogP3.64
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.24
LogP ≤ 53.64
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

N'-(2,6-difluorophenyl)propanimidamide
CID 63178619
ethane;N-(2-methylphenyl)butan-2-imine
CID 142132579
N-(3-methylphenyl)butan-2-imine
CID 54385818
N'-[2-methyl-6-[(Z)-3-methylpent-2-en-2-yl]phenyl]propanimidamide
CID 163595437
N-(2,6-dimethylphenyl)ethanimidoyl chloride
CID 14927956
N-(4-chloro-2-methylphenyl)butan-2-imine
CID 138749574
ethane;1-fluoro-2-methylbenzene;propane
CID 143588585
(2,6-dimethylphenyl)-[4-(2,6-dimethylphenyl)iminopentan-2-yl]azanide
CID 102509791
1,2-difluoro-3-methylbenzene;vanadium
CID 170603843
N,N'-bis(2,6-dimethylphenyl)-1,2-bis(4-fluorophenyl)ethane-1,2-diimine
CID 140654196
1-(2-fluoro-6-methylphenyl)propan-2-one
CID 84765067
ethane;2-fluoro-6-methylphenol
CID 162729094

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-6-methylphenyl)butan-2-imine?
The IUPAC name of N-(2-fluoro-6-methylphenyl)butan-2-imine (CID 142004237) is N-(2-fluoro-6-methylphenyl)butan-2-imine.
What is the SMILES notation for N-(2-fluoro-6-methylphenyl)butan-2-imine?
The canonical SMILES for N-(2-fluoro-6-methylphenyl)butan-2-imine is CC/C(C)=N/c1c(C)cccc1F.
What is the InChIKey of N-(2-fluoro-6-methylphenyl)butan-2-imine?
The InChIKey is UYHNGDGQOURZNW-UKTHLTGXSA-N. The full InChI is InChI=1S/C11H14FN/c1-4-9(3)13-11-8(2)6-5-7-10(11)12/h5-7H,4H2,1-3H3/b13-9+.
What are the key properties of N-(2-fluoro-6-methylphenyl)butan-2-imine?
N-(2-fluoro-6-methylphenyl)butan-2-imine has a molecular weight of 179.24 g/mol, XLogP of 3.64, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-6-methylphenyl)butan-2-imine is sourced from PubChem (CID 142004237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).