4-[(3,4-dimethylphenyl)methoxy]-3-fluorobenzenecarboximidamide

C16H17FN2O — CID 107666681

IUPAC4-[(3,4-dimethylphenyl)methoxy]-3-fluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OCc2ccc(C)c(C)c2)c(F)c1
InChIInChI=1S/C16H17FN2O/c1-10-3-4-12(7-11(10)2)9-20-15-6-5-13(16(18)19)8-14(15)17/h3-8H,9H2,1-2H3,(H3,18,19)
InChIKeyZIIHIBAWKTUHKJ-UHFFFAOYSA-N
MW272.32 g/mol
LogP3.31
Rot. Bonds4

About 4-[(3,4-dimethylphenyl)methoxy]-3-fluorobenzenecarboximidamide

4-[(3,4-dimethylphenyl)methoxy]-3-fluorobenzenecarboximidamide (PubChem CID 107666681) has the molecular formula C16H17FN2O and a molecular weight of 272.32 g/mol. Its IUPAC name is 4-[(3,4-dimethylphenyl)methoxy]-3-fluorobenzenecarboximidamide.

Molecular Properties

Compound Name4-[(3,4-dimethylphenyl)methoxy]-3-fluorobenzenecarboximidamide
PubChem CID107666681
Molecular FormulaC16H17FN2O
Molecular Weight272.32 g/mol
Exact Mass272.13
IUPAC Name4-[(3,4-dimethylphenyl)methoxy]-3-fluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OCc2ccc(C)c(C)c2)c(F)c1
InChIInChI=1S/C16H17FN2O/c1-10-3-4-12(7-11(10)2)9-20-15-6-5-13(16(18)19)8-14(15)17/h3-8H,9H2,1-2H3,(H3,18,19)
InChIKeyZIIHIBAWKTUHKJ-UHFFFAOYSA-N
XLogP3.31
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[(3,4-dimethylphenyl)methoxy]-3-fluorobenzenecarboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(3,4-difluorophenyl)methoxy]-3-fluorobenzenecarboximidamide
CID 107666642
3-fluoro-4-[(3-hydroxyphenyl)methoxy]benzenecarboximidamide
CID 107666580
3-[(4-chloro-3-fluorophenyl)methoxy]-4-methylbenzenecarboximidamide
CID 107881722
3-fluoro-4-[(4-methylsulfonylphenyl)methoxy]benzenecarboximidamide;hydrochloride
CID 82253926
3-fluoro-4-[(2-methoxy-5-methylphenyl)methoxy]benzenecarboximidamide
CID 107666516
3-[(2,4-difluorophenoxy)methyl]benzenecarboximidamide
CID 24704765
3-fluoro-4-(pyridin-3-ylmethoxy)benzenecarboximidamide
CID 82253424
3-[(3,5-dimethylphenyl)methoxy]-4-methylbenzenecarboximidamide
CID 107657148
3-fluoro-4-(2-methylpropoxy)benzenecarboximidamide;hydrochloride
CID 82253205
4-[(4-chlorophenyl)methoxy]-3-methoxybenzenecarboximidamide;hydrochloride
CID 82240843
3-fluoro-4-[(2-fluoro-4-methoxyphenyl)methoxy]benzenecarboximidamide
CID 107666555
4-[(2-chloro-6-fluorophenyl)methoxy]-3-fluorobenzenecarboximidamide
CID 82253825

Frequently Asked Questions

What is the IUPAC name of 4-[(3,4-dimethylphenyl)methoxy]-3-fluorobenzenecarboximidamide?
The IUPAC name of 4-[(3,4-dimethylphenyl)methoxy]-3-fluorobenzenecarboximidamide (CID 107666681) is 4-[(3,4-dimethylphenyl)methoxy]-3-fluorobenzenecarboximidamide.
What is the SMILES notation for 4-[(3,4-dimethylphenyl)methoxy]-3-fluorobenzenecarboximidamide?
The canonical SMILES for 4-[(3,4-dimethylphenyl)methoxy]-3-fluorobenzenecarboximidamide is [H]/N=C(\N)c1ccc(OCc2ccc(C)c(C)c2)c(F)c1.
What is the InChIKey of 4-[(3,4-dimethylphenyl)methoxy]-3-fluorobenzenecarboximidamide?
The InChIKey is ZIIHIBAWKTUHKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O/c1-10-3-4-12(7-11(10)2)9-20-15-6-5-13(16(18)19)8-14(15)17/h3-8H,9H2,1-2H3,(H3,18,19).
What are the key properties of 4-[(3,4-dimethylphenyl)methoxy]-3-fluorobenzenecarboximidamide?
4-[(3,4-dimethylphenyl)methoxy]-3-fluorobenzenecarboximidamide has a molecular weight of 272.32 g/mol, XLogP of 3.31, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,4-dimethylphenyl)methoxy]-3-fluorobenzenecarboximidamide is sourced from PubChem (CID 107666681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).