N'-[(3-fluorophenyl)methoxy]-2-phenylethanimidamide

C15H15FN2O — CID 47330986

IUPACN'-[(3-fluorophenyl)methoxy]-2-phenylethanimidamide
SMILESN/C(Cc1ccccc1)=N\OCc1cccc(F)c1
InChIInChI=1S/C15H15FN2O/c16-14-8-4-7-13(9-14)11-19-18-15(17)10-12-5-2-1-3-6-12/h1-9H,10-11H2,(H2,17,18)
InChIKeyMRASKWVVHAPLHV-UHFFFAOYSA-N
MW258.30 g/mol
LogP2.86
Rot. Bonds5

About N'-[(3-fluorophenyl)methoxy]-2-phenylethanimidamide

N'-[(3-fluorophenyl)methoxy]-2-phenylethanimidamide (PubChem CID 47330986) has the molecular formula C15H15FN2O and a molecular weight of 258.30 g/mol. Its IUPAC name is N'-[(3-fluorophenyl)methoxy]-2-phenylethanimidamide.

Molecular Properties

Compound NameN'-[(3-fluorophenyl)methoxy]-2-phenylethanimidamide
PubChem CID47330986
Molecular FormulaC15H15FN2O
Molecular Weight258.30 g/mol
Exact Mass258.12
IUPAC NameN'-[(3-fluorophenyl)methoxy]-2-phenylethanimidamide
SMILESN/C(Cc1ccccc1)=N\OCc1cccc(F)c1
InChIInChI=1S/C15H15FN2O/c16-14-8-4-7-13(9-14)11-19-18-15(17)10-12-5-2-1-3-6-12/h1-9H,10-11H2,(H2,17,18)
InChIKeyMRASKWVVHAPLHV-UHFFFAOYSA-N
XLogP2.86
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-[[4-(hydroxymethyl)phenyl]methoxy]-2-phenylethanimidamide
CID 110005958
N'-[(4-methylphenyl)methoxy]-2-phenylethanimidamide
CID 60548435
2-phenyl-N'-[(4-pyrazol-1-ylphenyl)methoxy]ethanimidamide
CID 60548245
N'-[[2-(2,2-difluoroethyl)-1,2,4-triazol-3-yl]methoxy]-2-phenylethanimidamide
CID 126830682
3-fluoro-N'-[[4-(hydroxymethyl)phenyl]methoxy]benzenecarboximidamide
CID 110005979
N'-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]methoxy]-2-phenylethanimidamide
CID 95045003
2-[(3-fluorophenyl)methyl]guanidine
CID 14963573
(E)-N-[(3-fluorophenyl)methoxy]-1-[1-(3-fluorophenyl)-2-methyl-5-phenylpyrrol-3-yl]ethanimine
CID 7249022
methyl 5-[[(E)-(1-amino-2-phenylethylidene)amino]oxymethyl]-3-methylfuran-2-carboxylate
CID 60548216
2-[3-[(3-fluorophenyl)methoxy]phenyl]acetamide
CID 60604617
[(E)-(1-amino-2-phenylethylidene)amino] propanoate
CID 100802192
(3-fluorophenyl)methyl 3,3-diaminoprop-2-enoate
CID 142577915

Frequently Asked Questions

What is the IUPAC name of N'-[(3-fluorophenyl)methoxy]-2-phenylethanimidamide?
The IUPAC name of N'-[(3-fluorophenyl)methoxy]-2-phenylethanimidamide (CID 47330986) is N'-[(3-fluorophenyl)methoxy]-2-phenylethanimidamide.
What is the SMILES notation for N'-[(3-fluorophenyl)methoxy]-2-phenylethanimidamide?
The canonical SMILES for N'-[(3-fluorophenyl)methoxy]-2-phenylethanimidamide is N/C(Cc1ccccc1)=N\OCc1cccc(F)c1.
What is the InChIKey of N'-[(3-fluorophenyl)methoxy]-2-phenylethanimidamide?
The InChIKey is MRASKWVVHAPLHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O/c16-14-8-4-7-13(9-14)11-19-18-15(17)10-12-5-2-1-3-6-12/h1-9H,10-11H2,(H2,17,18).
What are the key properties of N'-[(3-fluorophenyl)methoxy]-2-phenylethanimidamide?
N'-[(3-fluorophenyl)methoxy]-2-phenylethanimidamide has a molecular weight of 258.30 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3-fluorophenyl)methoxy]-2-phenylethanimidamide is sourced from PubChem (CID 47330986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).