4-[(2-fluorophenyl)methoxymethyl]-2-methoxybenzenecarboximidamide

C16H17FN2O2 — CID 106791330

IUPAC4-[(2-fluorophenyl)methoxymethyl]-2-methoxybenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(COCc2ccccc2F)cc1OC
InChIInChI=1S/C16H17FN2O2/c1-20-15-8-11(6-7-13(15)16(18)19)9-21-10-12-4-2-3-5-14(12)17/h2-8H,9-10H2,1H3,(H3,18,19)
InChIKeyIJYNCWKPPVNYSH-UHFFFAOYSA-N
MW288.32 g/mol
LogP2.84
Rot. Bonds6

About 4-[(2-fluorophenyl)methoxymethyl]-2-methoxybenzenecarboximidamide

4-[(2-fluorophenyl)methoxymethyl]-2-methoxybenzenecarboximidamide (PubChem CID 106791330) has the molecular formula C16H17FN2O2 and a molecular weight of 288.32 g/mol. Its IUPAC name is 4-[(2-fluorophenyl)methoxymethyl]-2-methoxybenzenecarboximidamide.

Molecular Properties

Compound Name4-[(2-fluorophenyl)methoxymethyl]-2-methoxybenzenecarboximidamide
PubChem CID106791330
Molecular FormulaC16H17FN2O2
Molecular Weight288.32 g/mol
Exact Mass288.13
IUPAC Name4-[(2-fluorophenyl)methoxymethyl]-2-methoxybenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(COCc2ccccc2F)cc1OC
InChIInChI=1S/C16H17FN2O2/c1-20-15-8-11(6-7-13(15)16(18)19)9-21-10-12-4-2-3-5-14(12)17/h2-8H,9-10H2,1H3,(H3,18,19)
InChIKeyIJYNCWKPPVNYSH-UHFFFAOYSA-N
XLogP2.84
TPSA68.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 52.84
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

4-(2,2-difluoroethoxymethyl)-2-methoxybenzenecarboximidamide
CID 106791374
2-methoxy-4-(3,3,3-trifluoropropoxymethyl)benzenecarboximidamide
CID 106791383
4-[(2,6-dimethylphenoxy)methyl]-2-methoxybenzenecarboximidamide
CID 106791185
5-[(4-chlorophenyl)methoxymethyl]-2-methoxybenzenecarboximidamide
CID 65339965
4-(2-cyclobutylethoxymethyl)-2-methoxybenzenecarboximidamide
CID 106202148
2-[(4-fluorophenyl)methoxymethyl]benzenecarboximidamide;hydrochloride
CID 82240740
2-methoxy-4-(methylsulfanylmethyl)benzenecarboximidamide
CID 106791936
4-[(4-bromophenoxy)methyl]-2-methoxybenzenecarboximidamide
CID 106791107
5-[(2-fluorophenyl)sulfanylmethyl]-2-methoxybenzenecarboximidamide
CID 65340206
4-[(2,4-dimethylphenoxy)methyl]-2-methoxybenzenecarboximidamide
CID 106791193
2-methoxy-4-(pentan-2-yloxymethyl)benzenecarboximidamide
CID 106791408
2-methoxy-4-(oxolan-2-ylmethoxymethyl)benzenecarboximidamide
CID 106791157

Frequently Asked Questions

What is the IUPAC name of 4-[(2-fluorophenyl)methoxymethyl]-2-methoxybenzenecarboximidamide?
The IUPAC name of 4-[(2-fluorophenyl)methoxymethyl]-2-methoxybenzenecarboximidamide (CID 106791330) is 4-[(2-fluorophenyl)methoxymethyl]-2-methoxybenzenecarboximidamide.
What is the SMILES notation for 4-[(2-fluorophenyl)methoxymethyl]-2-methoxybenzenecarboximidamide?
The canonical SMILES for 4-[(2-fluorophenyl)methoxymethyl]-2-methoxybenzenecarboximidamide is [H]/N=C(\N)c1ccc(COCc2ccccc2F)cc1OC.
What is the InChIKey of 4-[(2-fluorophenyl)methoxymethyl]-2-methoxybenzenecarboximidamide?
The InChIKey is IJYNCWKPPVNYSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O2/c1-20-15-8-11(6-7-13(15)16(18)19)9-21-10-12-4-2-3-5-14(12)17/h2-8H,9-10H2,1H3,(H3,18,19).
What are the key properties of 4-[(2-fluorophenyl)methoxymethyl]-2-methoxybenzenecarboximidamide?
4-[(2-fluorophenyl)methoxymethyl]-2-methoxybenzenecarboximidamide has a molecular weight of 288.32 g/mol, XLogP of 2.84, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-fluorophenyl)methoxymethyl]-2-methoxybenzenecarboximidamide is sourced from PubChem (CID 106791330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).