N'-[2-(3-fluorophenyl)ethyl]butanimidamide

C12H17FN2 — CID 63175789

IUPACN'-[2-(3-fluorophenyl)ethyl]butanimidamide
SMILESCCC/C(N)=N\CCc1cccc(F)c1
InChIInChI=1S/C12H17FN2/c1-2-4-12(14)15-8-7-10-5-3-6-11(13)9-10/h3,5-6,9H,2,4,7-8H2,1H3,(H2,14,15)
InChIKeyGWDBHIVQXWMOSC-UHFFFAOYSA-N
MW208.28 g/mol
LogP2.53
Rot. Bonds5

About N'-[2-(3-fluorophenyl)ethyl]butanimidamide

N'-[2-(3-fluorophenyl)ethyl]butanimidamide (PubChem CID 63175789) has the molecular formula C12H17FN2 and a molecular weight of 208.28 g/mol. Its IUPAC name is N'-[2-(3-fluorophenyl)ethyl]butanimidamide.

Molecular Properties

Compound NameN'-[2-(3-fluorophenyl)ethyl]butanimidamide
PubChem CID63175789
Molecular FormulaC12H17FN2
Molecular Weight208.28 g/mol
Exact Mass208.14
IUPAC NameN'-[2-(3-fluorophenyl)ethyl]butanimidamide
SMILESCCC/C(N)=N\CCc1cccc(F)c1
InChIInChI=1S/C12H17FN2/c1-2-4-12(14)15-8-7-10-5-3-6-11(13)9-10/h3,5-6,9H,2,4,7-8H2,1H3,(H2,14,15)
InChIKeyGWDBHIVQXWMOSC-UHFFFAOYSA-N
XLogP2.53
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 52.53
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

N'-[2-(3,5-difluorophenyl)ethyl]butanimidamide
CID 63172943
1-tert-butyl-2-[2-(3-fluorophenyl)ethyl]guanidine
CID 62364401
1-(3-ethylphenyl)-2-[2-(3-fluorophenyl)ethyl]guanidine
CID 111035398
2-(3-fluorophenyl)ethanamine;undecan-1-amine
CID 158185766
acetylene;1-butyl-3-fluorobenzene
CID 142913636
acetic acid;1-fluoro-3-pentylbenzene;guanidine
CID 174775989
N'-(4,4-dimethylpent-1-en-3-yl)-3-(3-fluorophenyl)propanimidamide;ethane
CID 143418719
(2R)-4-(3-fluorophenyl)butan-2-amine
CID 22831507
6-(3-fluorophenyl)hexan-3-ol
CID 64515590
1-(3,3-diethoxypropyl)-3-fluorobenzene
CID 146004750
N-[2-(3-fluorophenyl)ethyl]-N-propylhydroxylamine
CID 91048549
2-[(3-fluorophenyl)methyl]guanidine
CID 14963573

Frequently Asked Questions

What is the IUPAC name of N'-[2-(3-fluorophenyl)ethyl]butanimidamide?
The IUPAC name of N'-[2-(3-fluorophenyl)ethyl]butanimidamide (CID 63175789) is N'-[2-(3-fluorophenyl)ethyl]butanimidamide.
What is the SMILES notation for N'-[2-(3-fluorophenyl)ethyl]butanimidamide?
The canonical SMILES for N'-[2-(3-fluorophenyl)ethyl]butanimidamide is CCC/C(N)=N\CCc1cccc(F)c1.
What is the InChIKey of N'-[2-(3-fluorophenyl)ethyl]butanimidamide?
The InChIKey is GWDBHIVQXWMOSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2/c1-2-4-12(14)15-8-7-10-5-3-6-11(13)9-10/h3,5-6,9H,2,4,7-8H2,1H3,(H2,14,15).
What are the key properties of N'-[2-(3-fluorophenyl)ethyl]butanimidamide?
N'-[2-(3-fluorophenyl)ethyl]butanimidamide has a molecular weight of 208.28 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3-fluorophenyl)ethyl]butanimidamide is sourced from PubChem (CID 63175789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).