2-[(2-ethylphenoxy)methyl]-5-fluorobenzenecarboximidamide

C16H17FN2O — CID 63291072

IUPAC2-[(2-ethylphenoxy)methyl]-5-fluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(F)ccc1COc1ccccc1CC
InChIInChI=1S/C16H17FN2O/c1-2-11-5-3-4-6-15(11)20-10-12-7-8-13(17)9-14(12)16(18)19/h3-9H,2,10H2,1H3,(H3,18,19)
InChIKeyNVMYSKYGFRKTPS-UHFFFAOYSA-N
MW272.32 g/mol
LogP3.25
Rot. Bonds5

About 2-[(2-ethylphenoxy)methyl]-5-fluorobenzenecarboximidamide

2-[(2-ethylphenoxy)methyl]-5-fluorobenzenecarboximidamide (PubChem CID 63291072) has the molecular formula C16H17FN2O and a molecular weight of 272.32 g/mol. Its IUPAC name is 2-[(2-ethylphenoxy)methyl]-5-fluorobenzenecarboximidamide.

Molecular Properties

Compound Name2-[(2-ethylphenoxy)methyl]-5-fluorobenzenecarboximidamide
PubChem CID63291072
Molecular FormulaC16H17FN2O
Molecular Weight272.32 g/mol
Exact Mass272.13
IUPAC Name2-[(2-ethylphenoxy)methyl]-5-fluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(F)ccc1COc1ccccc1CC
InChIInChI=1S/C16H17FN2O/c1-2-11-5-3-4-6-15(11)20-10-12-7-8-13(17)9-14(12)16(18)19/h3-9H,2,10H2,1H3,(H3,18,19)
InChIKeyNVMYSKYGFRKTPS-UHFFFAOYSA-N
XLogP3.25
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 53.25
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'}

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Related Compounds

2-[(2,5-difluorophenoxy)methyl]benzenecarboximidamide
CID 55168136
2-[(2,4-difluorophenyl)methoxy]benzenecarboximidamide
CID 62196027
2-[(2-bromophenyl)methoxymethyl]-5-fluorobenzenecarboximidamide
CID 82823576
2-[(3,4-dimethylphenoxy)methyl]-5-fluorobenzenecarboximidamide
CID 63290640
2-[(4-bromophenoxy)methyl]-5-fluorobenzenecarboximidamide
CID 63290597
2-(butoxymethyl)-5-fluorobenzenecarboximidamide
CID 63291033
3-[(2-ethoxyphenoxy)methyl]-2-fluorobenzenecarboximidamide
CID 107118134
5-fluoro-2-[[4-(hydroxymethyl)phenoxy]methyl]benzenecarboximidamide
CID 63291162
2-(2-ethylphenoxy)benzenecarboximidamide
CID 43364301
2-[(2,3-difluorophenyl)methoxy]benzenecarboximidamide
CID 43658905
2-[(N-ethylanilino)methyl]-5-fluorobenzenecarboximidamide
CID 63290879
5-fluoro-2-(methylsulfanylmethyl)benzenecarboximidamide
CID 63291251

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethylphenoxy)methyl]-5-fluorobenzenecarboximidamide?
The IUPAC name of 2-[(2-ethylphenoxy)methyl]-5-fluorobenzenecarboximidamide (CID 63291072) is 2-[(2-ethylphenoxy)methyl]-5-fluorobenzenecarboximidamide.
What is the SMILES notation for 2-[(2-ethylphenoxy)methyl]-5-fluorobenzenecarboximidamide?
The canonical SMILES for 2-[(2-ethylphenoxy)methyl]-5-fluorobenzenecarboximidamide is [H]/N=C(\N)c1cc(F)ccc1COc1ccccc1CC.
What is the InChIKey of 2-[(2-ethylphenoxy)methyl]-5-fluorobenzenecarboximidamide?
The InChIKey is NVMYSKYGFRKTPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O/c1-2-11-5-3-4-6-15(11)20-10-12-7-8-13(17)9-14(12)16(18)19/h3-9H,2,10H2,1H3,(H3,18,19).
What are the key properties of 2-[(2-ethylphenoxy)methyl]-5-fluorobenzenecarboximidamide?
2-[(2-ethylphenoxy)methyl]-5-fluorobenzenecarboximidamide has a molecular weight of 272.32 g/mol, XLogP of 3.25, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethylphenoxy)methyl]-5-fluorobenzenecarboximidamide is sourced from PubChem (CID 63291072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).