N-amino-2-(3-fluorophenyl)-N'-(2-methoxyethyl)ethanimidamide

C11H16FN3O — CID 62542673

IUPACN-amino-2-(3-fluorophenyl)-N'-(2-methoxyethyl)ethanimidamide
SMILESCOCC/N=C(/Cc1cccc(F)c1)NN
InChIInChI=1S/C11H16FN3O/c1-16-6-5-14-11(15-13)8-9-3-2-4-10(12)7-9/h2-4,7H,5-6,8,13H2,1H3,(H,14,15)
InChIKeyFQTZKOXNQFFKHE-UHFFFAOYSA-N
MW225.27 g/mol
LogP0.88
Rot. Bonds5

About N-amino-2-(3-fluorophenyl)-N'-(2-methoxyethyl)ethanimidamide

N-amino-2-(3-fluorophenyl)-N'-(2-methoxyethyl)ethanimidamide (PubChem CID 62542673) has the molecular formula C11H16FN3O and a molecular weight of 225.27 g/mol. Its IUPAC name is N-amino-2-(3-fluorophenyl)-N'-(2-methoxyethyl)ethanimidamide.

Molecular Properties

Compound NameN-amino-2-(3-fluorophenyl)-N'-(2-methoxyethyl)ethanimidamide
PubChem CID62542673
Molecular FormulaC11H16FN3O
Molecular Weight225.27 g/mol
Exact Mass225.13
IUPAC NameN-amino-2-(3-fluorophenyl)-N'-(2-methoxyethyl)ethanimidamide
SMILESCOCC/N=C(/Cc1cccc(F)c1)NN
InChIInChI=1S/C11H16FN3O/c1-16-6-5-14-11(15-13)8-9-3-2-4-10(12)7-9/h2-4,7H,5-6,8,13H2,1H3,(H,14,15)
InChIKeyFQTZKOXNQFFKHE-UHFFFAOYSA-N
XLogP0.88
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'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-amino-2-(3-fluorophenyl)-N'-methylethanimidamide
CID 61362476
N-amino-2-(4-bromophenyl)-N'-(2-methoxyethyl)ethanimidamide
CID 62542669
N-[2-[[N-ethyl-N'-(3-methoxypropyl)carbamimidoyl]amino]ethyl]-2-(3-fluorophenyl)acetamide
CID 110974859
2-(3-chlorophenyl)-N'-(2-methoxyethyl)ethanimidamide
CID 63181484
1-ethyl-2-[(3-fluorophenyl)methyl]-3-(2-methoxyethyl)guanidine
CID 110942748
methyl 3-[[2-(3-fluorophenyl)acetyl]amino]-2-iodopropanoate
CID 103493227
2-[[2-(3-fluorophenyl)acetyl]amino]ethyl acetate
CID 151755820
2-(3-fluorophenyl)-N-(2-hydroxy-4-methoxy-2-methylbutyl)acetamide
CID 103712162
1-amino-3-[2-(3,5-difluorophenyl)ethyl]-2-(2-methoxyethyl)guanidine
CID 116511082
propyl 2-(3-fluorophenyl)acetate
CID 43389577
1-(3-fluorophenyl)-4-methoxybutan-2-ol
CID 61412399
N-[2-(diaminomethylideneamino)ethyl]-2-(3-fluorophenyl)acetamide
CID 119112923

Frequently Asked Questions

What is the IUPAC name of N-amino-2-(3-fluorophenyl)-N'-(2-methoxyethyl)ethanimidamide?
The IUPAC name of N-amino-2-(3-fluorophenyl)-N'-(2-methoxyethyl)ethanimidamide (CID 62542673) is N-amino-2-(3-fluorophenyl)-N'-(2-methoxyethyl)ethanimidamide.
What is the SMILES notation for N-amino-2-(3-fluorophenyl)-N'-(2-methoxyethyl)ethanimidamide?
The canonical SMILES for N-amino-2-(3-fluorophenyl)-N'-(2-methoxyethyl)ethanimidamide is COCC/N=C(/Cc1cccc(F)c1)NN.
What is the InChIKey of N-amino-2-(3-fluorophenyl)-N'-(2-methoxyethyl)ethanimidamide?
The InChIKey is FQTZKOXNQFFKHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3O/c1-16-6-5-14-11(15-13)8-9-3-2-4-10(12)7-9/h2-4,7H,5-6,8,13H2,1H3,(H,14,15).
What are the key properties of N-amino-2-(3-fluorophenyl)-N'-(2-methoxyethyl)ethanimidamide?
N-amino-2-(3-fluorophenyl)-N'-(2-methoxyethyl)ethanimidamide has a molecular weight of 225.27 g/mol, XLogP of 0.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-2-(3-fluorophenyl)-N'-(2-methoxyethyl)ethanimidamide is sourced from PubChem (CID 62542673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).