3-fluoro-4-[(2-methoxy-5-methylphenyl)methoxy]benzenecarboximidamide

C16H17FN2O2 — CID 107666516

IUPAC3-fluoro-4-[(2-methoxy-5-methylphenyl)methoxy]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OCc2cc(C)ccc2OC)c(F)c1
InChIInChI=1S/C16H17FN2O2/c1-10-3-5-14(20-2)12(7-10)9-21-15-6-4-11(16(18)19)8-13(15)17/h3-8H,9H2,1-2H3,(H3,18,19)
InChIKeyUMQRKQWWUDVMOJ-UHFFFAOYSA-N
MW288.32 g/mol
LogP3.01
Rot. Bonds5

About 3-fluoro-4-[(2-methoxy-5-methylphenyl)methoxy]benzenecarboximidamide

3-fluoro-4-[(2-methoxy-5-methylphenyl)methoxy]benzenecarboximidamide (PubChem CID 107666516) has the molecular formula C16H17FN2O2 and a molecular weight of 288.32 g/mol. Its IUPAC name is 3-fluoro-4-[(2-methoxy-5-methylphenyl)methoxy]benzenecarboximidamide.

Molecular Properties

Compound Name3-fluoro-4-[(2-methoxy-5-methylphenyl)methoxy]benzenecarboximidamide
PubChem CID107666516
Molecular FormulaC16H17FN2O2
Molecular Weight288.32 g/mol
Exact Mass288.13
IUPAC Name3-fluoro-4-[(2-methoxy-5-methylphenyl)methoxy]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OCc2cc(C)ccc2OC)c(F)c1
InChIInChI=1S/C16H17FN2O2/c1-10-3-5-14(20-2)12(7-10)9-21-15-6-4-11(16(18)19)8-13(15)17/h3-8H,9H2,1-2H3,(H3,18,19)
InChIKeyUMQRKQWWUDVMOJ-UHFFFAOYSA-N
XLogP3.01
TPSA68.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

3-fluoro-4-[(2-fluoro-4-methoxyphenyl)methoxy]benzenecarboximidamide
CID 107666555
3-[(5-chloro-2-methoxyphenyl)methoxy]-4-methylbenzenecarboximidamide
CID 107657180
4-[(3,4-dimethylphenyl)methoxy]-3-fluorobenzenecarboximidamide
CID 107666681
2-[4-[(2-methoxy-5-methylphenyl)methoxy]phenyl]ethanimidamide
CID 62160967
4-[(3,4-difluorophenyl)methoxy]-3-fluorobenzenecarboximidamide
CID 107666642
4-[[3-[(4-carbamimidoyl-2-methoxyphenyl)methoxy]-5-methylphenoxy]methyl]-3-methoxybenzenecarboximidamide
CID 157208014
4-[(2-methoxy-5-methylphenyl)methyl-methylamino]benzenecarboximidamide
CID 62970325
4-[(2,5-dimethylphenoxy)methyl]-3-methylbenzenecarboximidamide
CID 114483679
3-[(2-methoxy-4-methylphenoxy)methyl]benzenecarboximidamide
CID 24709656
3-fluoro-4-(2-methylpropoxy)benzenecarboximidamide;hydrochloride
CID 82253205
3-fluoro-4-[(3-hydroxyphenyl)methoxy]benzenecarboximidamide
CID 107666580
4-[(2,6-dimethoxyphenyl)methoxy]-3-methoxybenzenecarboximidamide;hydrochloride
CID 82253903

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[(2-methoxy-5-methylphenyl)methoxy]benzenecarboximidamide?
The IUPAC name of 3-fluoro-4-[(2-methoxy-5-methylphenyl)methoxy]benzenecarboximidamide (CID 107666516) is 3-fluoro-4-[(2-methoxy-5-methylphenyl)methoxy]benzenecarboximidamide.
What is the SMILES notation for 3-fluoro-4-[(2-methoxy-5-methylphenyl)methoxy]benzenecarboximidamide?
The canonical SMILES for 3-fluoro-4-[(2-methoxy-5-methylphenyl)methoxy]benzenecarboximidamide is [H]/N=C(\N)c1ccc(OCc2cc(C)ccc2OC)c(F)c1.
What is the InChIKey of 3-fluoro-4-[(2-methoxy-5-methylphenyl)methoxy]benzenecarboximidamide?
The InChIKey is UMQRKQWWUDVMOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O2/c1-10-3-5-14(20-2)12(7-10)9-21-15-6-4-11(16(18)19)8-13(15)17/h3-8H,9H2,1-2H3,(H3,18,19).
What are the key properties of 3-fluoro-4-[(2-methoxy-5-methylphenyl)methoxy]benzenecarboximidamide?
3-fluoro-4-[(2-methoxy-5-methylphenyl)methoxy]benzenecarboximidamide has a molecular weight of 288.32 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[(2-methoxy-5-methylphenyl)methoxy]benzenecarboximidamide is sourced from PubChem (CID 107666516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).