N'-(2-fluoro-3-methoxyphenyl)ethanimidamide

C9H11FN2O — CID 164652328

IUPACN'-(2-fluoro-3-methoxyphenyl)ethanimidamide
SMILESCOc1cccc(/N=C(\C)N)c1F
InChIInChI=1S/C9H11FN2O/c1-6(11)12-7-4-3-5-8(13-2)9(7)10/h3-5H,1-2H3,(H2,11,12)
InChIKeyWELYCZQCYOYIKL-UHFFFAOYSA-N
MW182.20 g/mol
LogP1.84
Rot. Bonds2

About N'-(2-fluoro-3-methoxyphenyl)ethanimidamide

N'-(2-fluoro-3-methoxyphenyl)ethanimidamide (PubChem CID 164652328) has the molecular formula C9H11FN2O and a molecular weight of 182.20 g/mol. Its IUPAC name is N'-(2-fluoro-3-methoxyphenyl)ethanimidamide.

Molecular Properties

Compound NameN'-(2-fluoro-3-methoxyphenyl)ethanimidamide
PubChem CID164652328
Molecular FormulaC9H11FN2O
Molecular Weight182.20 g/mol
Exact Mass182.09
IUPAC NameN'-(2-fluoro-3-methoxyphenyl)ethanimidamide
SMILESCOc1cccc(/N=C(\C)N)c1F
InChIInChI=1S/C9H11FN2O/c1-6(11)12-7-4-3-5-8(13-2)9(7)10/h3-5H,1-2H3,(H2,11,12)
InChIKeyWELYCZQCYOYIKL-UHFFFAOYSA-N
XLogP1.84
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.20
LogP ≤ 51.84
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'}

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Related Compounds

N-(2-fluoro-3-methoxyphenyl)methanimine
CID 170584853
bis(2-fluoro-3-methoxyphenyl)methanone
CID 70479796
N'-[2-(trifluoromethoxy)phenyl]ethanimidamide
CID 63173340
2-(5-fluoro-2-methoxyphenyl)guanidine
CID 82490728
1-amino-1-(2-fluoro-3-methoxyphenyl)propan-2-ol
CID 55273473
(1S,2S)-1-amino-1-(2-fluoro-3-methoxyphenyl)propan-2-ol
CID 55271368
1-(2-fluoro-3-methoxyphenyl)prop-2-en-1-one
CID 103453675
2-fluoro-1-methoxy-3-methylsulfanylbenzene
CID 91881055
1-chloro-2-fluoro-3-methoxybenzene;methane
CID 142301090
2-(2-fluoro-3-methoxyphenyl)phenol
CID 53218569
(1R,2S)-1-amino-1-(2-fluoro-3-methoxyphenyl)propan-2-ol;hydrochloride
CID 171262633
2-fluoro-3-methoxybenzenesulfonamide
CID 82811316

Frequently Asked Questions

What is the IUPAC name of N'-(2-fluoro-3-methoxyphenyl)ethanimidamide?
The IUPAC name of N'-(2-fluoro-3-methoxyphenyl)ethanimidamide (CID 164652328) is N'-(2-fluoro-3-methoxyphenyl)ethanimidamide.
What is the SMILES notation for N'-(2-fluoro-3-methoxyphenyl)ethanimidamide?
The canonical SMILES for N'-(2-fluoro-3-methoxyphenyl)ethanimidamide is COc1cccc(/N=C(\C)N)c1F.
What is the InChIKey of N'-(2-fluoro-3-methoxyphenyl)ethanimidamide?
The InChIKey is WELYCZQCYOYIKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN2O/c1-6(11)12-7-4-3-5-8(13-2)9(7)10/h3-5H,1-2H3,(H2,11,12).
What are the key properties of N'-(2-fluoro-3-methoxyphenyl)ethanimidamide?
N'-(2-fluoro-3-methoxyphenyl)ethanimidamide has a molecular weight of 182.20 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-fluoro-3-methoxyphenyl)ethanimidamide is sourced from PubChem (CID 164652328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).