3-[(2-ethoxyphenoxy)methyl]-2-fluorobenzenecarboximidamide

C16H17FN2O2 — CID 107118134

IUPAC3-[(2-ethoxyphenoxy)methyl]-2-fluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(COc2ccccc2OCC)c1F
InChIInChI=1S/C16H17FN2O2/c1-2-20-13-8-3-4-9-14(13)21-10-11-6-5-7-12(15(11)17)16(18)19/h3-9H,2,10H2,1H3,(H3,18,19)
InChIKeyREQJAFKTFILCGU-UHFFFAOYSA-N
MW288.32 g/mol
LogP3.09
Rot. Bonds6

About 3-[(2-ethoxyphenoxy)methyl]-2-fluorobenzenecarboximidamide

3-[(2-ethoxyphenoxy)methyl]-2-fluorobenzenecarboximidamide (PubChem CID 107118134) has the molecular formula C16H17FN2O2 and a molecular weight of 288.32 g/mol. Its IUPAC name is 3-[(2-ethoxyphenoxy)methyl]-2-fluorobenzenecarboximidamide.

Molecular Properties

Compound Name3-[(2-ethoxyphenoxy)methyl]-2-fluorobenzenecarboximidamide
PubChem CID107118134
Molecular FormulaC16H17FN2O2
Molecular Weight288.32 g/mol
Exact Mass288.13
IUPAC Name3-[(2-ethoxyphenoxy)methyl]-2-fluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(COc2ccccc2OCC)c1F
InChIInChI=1S/C16H17FN2O2/c1-2-20-13-8-3-4-9-14(13)21-10-11-6-5-7-12(15(11)17)16(18)19/h3-9H,2,10H2,1H3,(H3,18,19)
InChIKeyREQJAFKTFILCGU-UHFFFAOYSA-N
XLogP3.09
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 ≤ 53.09
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-[(2-bromophenoxy)methyl]-2-fluorobenzenecarboximidamide
CID 107118102
3-[(2,3-dimethylphenoxy)methyl]-2-fluorobenzenecarboximidamide
CID 107118135
2-[(2,3-difluorophenyl)methoxy]benzenecarboximidamide
CID 43658905
3-[(3-ethylphenoxy)methyl]-2-fluorobenzenecarboximidamide
CID 107118138
2-fluoro-3-[[4-(hydroxymethyl)phenoxy]methyl]benzenecarboximidamide
CID 107118184
2-fluoro-3-(2-methoxyethoxymethyl)benzenecarboximidamide
CID 107118124
2-fluoro-3-(pentan-2-yloxymethyl)benzenecarboximidamide
CID 107118250
2-fluoro-3-(heptoxymethyl)benzenecarboximidamide
CID 107118150
2-[(2-ethylphenoxy)methyl]-5-fluorobenzenecarboximidamide
CID 63291072
2-[(2,5-difluorophenoxy)methyl]benzenecarboximidamide
CID 55168136
3-[(4-bromo-3-methylphenoxy)methyl]-2-fluorobenzenecarboximidamide
CID 107118238
3-[(5-chloro-3-pyridinyl)oxymethyl]-2-fluorobenzenecarboximidamide
CID 107118213

Frequently Asked Questions

What is the IUPAC name of 3-[(2-ethoxyphenoxy)methyl]-2-fluorobenzenecarboximidamide?
The IUPAC name of 3-[(2-ethoxyphenoxy)methyl]-2-fluorobenzenecarboximidamide (CID 107118134) is 3-[(2-ethoxyphenoxy)methyl]-2-fluorobenzenecarboximidamide.
What is the SMILES notation for 3-[(2-ethoxyphenoxy)methyl]-2-fluorobenzenecarboximidamide?
The canonical SMILES for 3-[(2-ethoxyphenoxy)methyl]-2-fluorobenzenecarboximidamide is [H]/N=C(\N)c1cccc(COc2ccccc2OCC)c1F.
What is the InChIKey of 3-[(2-ethoxyphenoxy)methyl]-2-fluorobenzenecarboximidamide?
The InChIKey is REQJAFKTFILCGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O2/c1-2-20-13-8-3-4-9-14(13)21-10-11-6-5-7-12(15(11)17)16(18)19/h3-9H,2,10H2,1H3,(H3,18,19).
What are the key properties of 3-[(2-ethoxyphenoxy)methyl]-2-fluorobenzenecarboximidamide?
3-[(2-ethoxyphenoxy)methyl]-2-fluorobenzenecarboximidamide has a molecular weight of 288.32 g/mol, XLogP of 3.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-ethoxyphenoxy)methyl]-2-fluorobenzenecarboximidamide is sourced from PubChem (CID 107118134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).