N'-(3-fluorophenyl)-3-methylbutanimidamide

C11H15FN2 — CID 121219593

IUPACN'-(3-fluorophenyl)-3-methylbutanimidamide
SMILESCC(C)C/C(N)=N\c1cccc(F)c1
InChIInChI=1S/C11H15FN2/c1-8(2)6-11(13)14-10-5-3-4-9(12)7-10/h3-5,7-8H,6H2,1-2H3,(H2,13,14)
InChIKeyLLYHUWIIMFVBSW-UHFFFAOYSA-N
MW194.25 g/mol
LogP2.86
Rot. Bonds3

About N'-(3-fluorophenyl)-3-methylbutanimidamide

N'-(3-fluorophenyl)-3-methylbutanimidamide (PubChem CID 121219593) has the molecular formula C11H15FN2 and a molecular weight of 194.25 g/mol. Its IUPAC name is N'-(3-fluorophenyl)-3-methylbutanimidamide.

Molecular Properties

Compound NameN'-(3-fluorophenyl)-3-methylbutanimidamide
PubChem CID121219593
Molecular FormulaC11H15FN2
Molecular Weight194.25 g/mol
Exact Mass194.12
IUPAC NameN'-(3-fluorophenyl)-3-methylbutanimidamide
SMILESCC(C)C/C(N)=N\c1cccc(F)c1
InChIInChI=1S/C11H15FN2/c1-8(2)6-11(13)14-10-5-3-4-9(12)7-10/h3-5,7-8H,6H2,1-2H3,(H2,13,14)
InChIKeyLLYHUWIIMFVBSW-UHFFFAOYSA-N
XLogP2.86
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.25
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N'-(3-fluorophenyl)ethanimidamide
CID 169368865
1,1-difluoro-N-(3-fluorophenyl)propan-2-imine
CID 130247360
2-chloro-N'-(3-propan-2-ylphenyl)ethanimidamide
CID 169369579
diaminomethylidene-[N'-(3-fluorophenyl)carbamimidoyl]azanium chloride
CID 135544958
N-(3-fluorophenyl)-1-(4-fluorophenyl)ethanimine
CID 139246224
4-methyl-N-[4-[3-(4-methylpentan-2-ylideneamino)phenyl]phenyl]pentan-2-imine
CID 158234860
2-[(3-fluorophenyl)methyl]-1-(2-methylpropyl)guanidine;hydroiodide
CID 110912118
1-(3-fluorophenyl)-2-(2-methylpropyl)guanidine
CID 62379621
1,3-difluorobenzene;methanol
CID 144994633
2-chloro-N'-[3-(2,3,4,5,6-pentafluorophenoxy)phenyl]ethanimidamide
CID 169366543
3-[1-(3-fluorophenyl)ethylamino]-N'-hydroxypentanimidamide
CID 77032783
4-methyl-N-[[3-(4-methylpentan-2-ylideneamino)phenyl]methyl]pentan-2-imine
CID 21022148

Frequently Asked Questions

What is the IUPAC name of N'-(3-fluorophenyl)-3-methylbutanimidamide?
The IUPAC name of N'-(3-fluorophenyl)-3-methylbutanimidamide (CID 121219593) is N'-(3-fluorophenyl)-3-methylbutanimidamide.
What is the SMILES notation for N'-(3-fluorophenyl)-3-methylbutanimidamide?
The canonical SMILES for N'-(3-fluorophenyl)-3-methylbutanimidamide is CC(C)C/C(N)=N\c1cccc(F)c1.
What is the InChIKey of N'-(3-fluorophenyl)-3-methylbutanimidamide?
The InChIKey is LLYHUWIIMFVBSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2/c1-8(2)6-11(13)14-10-5-3-4-9(12)7-10/h3-5,7-8H,6H2,1-2H3,(H2,13,14).
What are the key properties of N'-(3-fluorophenyl)-3-methylbutanimidamide?
N'-(3-fluorophenyl)-3-methylbutanimidamide has a molecular weight of 194.25 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-fluorophenyl)-3-methylbutanimidamide is sourced from PubChem (CID 121219593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).