N'-[1-(2-fluorophenyl)ethyl]benzenecarboximidamide

C15H15FN2 — CID 63176743

IUPACN'-[1-(2-fluorophenyl)ethyl]benzenecarboximidamide
SMILESCC(/N=C(\N)c1ccccc1)c1ccccc1F
InChIInChI=1S/C15H15FN2/c1-11(13-9-5-6-10-14(13)16)18-15(17)12-7-3-2-4-8-12/h2-11H,1H3,(H2,17,18)
InChIKeyKYYUDYXGQQAOGX-UHFFFAOYSA-N
MW242.30 g/mol
LogP3.29
Rot. Bonds3

About N'-[1-(2-fluorophenyl)ethyl]benzenecarboximidamide

N'-[1-(2-fluorophenyl)ethyl]benzenecarboximidamide (PubChem CID 63176743) has the molecular formula C15H15FN2 and a molecular weight of 242.30 g/mol. Its IUPAC name is N'-[1-(2-fluorophenyl)ethyl]benzenecarboximidamide.

Molecular Properties

Compound NameN'-[1-(2-fluorophenyl)ethyl]benzenecarboximidamide
PubChem CID63176743
Molecular FormulaC15H15FN2
Molecular Weight242.30 g/mol
Exact Mass242.12
IUPAC NameN'-[1-(2-fluorophenyl)ethyl]benzenecarboximidamide
SMILESCC(/N=C(\N)c1ccccc1)c1ccccc1F
InChIInChI=1S/C15H15FN2/c1-11(13-9-5-6-10-14(13)16)18-15(17)12-7-3-2-4-8-12/h2-11H,1H3,(H2,17,18)
InChIKeyKYYUDYXGQQAOGX-UHFFFAOYSA-N
XLogP3.29
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-[1-(2-fluorophenyl)ethyl]-1-propan-2-ylguanidine
CID 62364214
N'-butan-2-ylbenzenecarboximidamide
CID 63174298
N'-(2-propan-2-ylphenyl)benzenecarboximidamide
CID 55160347
1-fluoro-2-(1-isocyanatoethyl)benzene
CID 63109861
(1S)-1-(2-fluorophenyl)ethanamine;hydrochloride
CID 45072320
(1S,2S)-1-(2-fluorophenyl)propane-1,2-diol
CID 66633990
(1R,2S)-1-(2-fluorophenyl)propane-1,2-diol
CID 130128160
(E)-1-(2-fluorophenyl)-2-phenylbut-2-en-1-ol
CID 70418006
1-fluoro-2-[(2R)-3-methylbutan-2-yl]benzene
CID 138464950
N'-(2-fluoroanilino)benzenecarboximidamide;hydrochloride
CID 171114666
1-fluoro-1-(2-fluorophenyl)propan-2-ol
CID 105435040
2-(2-fluorophenyl)-3-methylbutanoic acid
CID 62492426

Frequently Asked Questions

What is the IUPAC name of N'-[1-(2-fluorophenyl)ethyl]benzenecarboximidamide?
The IUPAC name of N'-[1-(2-fluorophenyl)ethyl]benzenecarboximidamide (CID 63176743) is N'-[1-(2-fluorophenyl)ethyl]benzenecarboximidamide.
What is the SMILES notation for N'-[1-(2-fluorophenyl)ethyl]benzenecarboximidamide?
The canonical SMILES for N'-[1-(2-fluorophenyl)ethyl]benzenecarboximidamide is CC(/N=C(\N)c1ccccc1)c1ccccc1F.
What is the InChIKey of N'-[1-(2-fluorophenyl)ethyl]benzenecarboximidamide?
The InChIKey is KYYUDYXGQQAOGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2/c1-11(13-9-5-6-10-14(13)16)18-15(17)12-7-3-2-4-8-12/h2-11H,1H3,(H2,17,18).
What are the key properties of N'-[1-(2-fluorophenyl)ethyl]benzenecarboximidamide?
N'-[1-(2-fluorophenyl)ethyl]benzenecarboximidamide has a molecular weight of 242.30 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(2-fluorophenyl)ethyl]benzenecarboximidamide is sourced from PubChem (CID 63176743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).