3-amino-3-(2-fluorophenyl)-N'-methylprop-2-enimidamide

C10H12FN3 — CID 173226824

IUPAC3-amino-3-(2-fluorophenyl)-N'-methylprop-2-enimidamide
SMILESC/N=C(\N)C=C(N)c1ccccc1F
InChIInChI=1S/C10H12FN3/c1-14-10(13)6-9(12)7-4-2-3-5-8(7)11/h2-6H,12H2,1H3,(H2,13,14)
InChIKeyHMWTWHAMVRCQRI-UHFFFAOYSA-N
MW193.22 g/mol
LogP1.11
Rot. Bonds2

About 3-amino-3-(2-fluorophenyl)-N'-methylprop-2-enimidamide

3-amino-3-(2-fluorophenyl)-N'-methylprop-2-enimidamide (PubChem CID 173226824) has the molecular formula C10H12FN3 and a molecular weight of 193.22 g/mol. Its IUPAC name is 3-amino-3-(2-fluorophenyl)-N'-methylprop-2-enimidamide.

Molecular Properties

Compound Name3-amino-3-(2-fluorophenyl)-N'-methylprop-2-enimidamide
PubChem CID173226824
Molecular FormulaC10H12FN3
Molecular Weight193.22 g/mol
Exact Mass193.10
IUPAC Name3-amino-3-(2-fluorophenyl)-N'-methylprop-2-enimidamide
SMILESC/N=C(\N)C=C(N)c1ccccc1F
InChIInChI=1S/C10H12FN3/c1-14-10(13)6-9(12)7-4-2-3-5-8(7)11/h2-6H,12H2,1H3,(H2,13,14)
InChIKeyHMWTWHAMVRCQRI-UHFFFAOYSA-N
XLogP1.11
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.22
LogP ≤ 51.11
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(2-fluorophenyl)-N'-methylprop-2-enimidamide?
The IUPAC name of 3-amino-3-(2-fluorophenyl)-N'-methylprop-2-enimidamide (CID 173226824) is 3-amino-3-(2-fluorophenyl)-N'-methylprop-2-enimidamide.
What is the SMILES notation for 3-amino-3-(2-fluorophenyl)-N'-methylprop-2-enimidamide?
The canonical SMILES for 3-amino-3-(2-fluorophenyl)-N'-methylprop-2-enimidamide is C/N=C(\N)C=C(N)c1ccccc1F.
What is the InChIKey of 3-amino-3-(2-fluorophenyl)-N'-methylprop-2-enimidamide?
The InChIKey is HMWTWHAMVRCQRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN3/c1-14-10(13)6-9(12)7-4-2-3-5-8(7)11/h2-6H,12H2,1H3,(H2,13,14).
What are the key properties of 3-amino-3-(2-fluorophenyl)-N'-methylprop-2-enimidamide?
3-amino-3-(2-fluorophenyl)-N'-methylprop-2-enimidamide has a molecular weight of 193.22 g/mol, XLogP of 1.11, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(2-fluorophenyl)-N'-methylprop-2-enimidamide is sourced from PubChem (CID 173226824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).