3-[(2,3-difluorophenyl)methyl-methylamino]propanimidamide

C11H15F2N3 — CID 43658900

IUPAC3-[(2,3-difluorophenyl)methyl-methylamino]propanimidamide
SMILES[H]/N=C(\N)CCN(C)Cc1cccc(F)c1F
InChIInChI=1S/C11H15F2N3/c1-16(6-5-10(14)15)7-8-3-2-4-9(12)11(8)13/h2-4H,5-7H2,1H3,(H3,14,15)
InChIKeyLLETZIKRAJXCHX-UHFFFAOYSA-N
MW227.26 g/mol
LogP1.72
Rot. Bonds5

About 3-[(2,3-difluorophenyl)methyl-methylamino]propanimidamide

3-[(2,3-difluorophenyl)methyl-methylamino]propanimidamide (PubChem CID 43658900) has the molecular formula C11H15F2N3 and a molecular weight of 227.26 g/mol. Its IUPAC name is 3-[(2,3-difluorophenyl)methyl-methylamino]propanimidamide.

Molecular Properties

Compound Name3-[(2,3-difluorophenyl)methyl-methylamino]propanimidamide
PubChem CID43658900
Molecular FormulaC11H15F2N3
Molecular Weight227.26 g/mol
Exact Mass227.12
IUPAC Name3-[(2,3-difluorophenyl)methyl-methylamino]propanimidamide
SMILES[H]/N=C(\N)CCN(C)Cc1cccc(F)c1F
InChIInChI=1S/C11H15F2N3/c1-16(6-5-10(14)15)7-8-3-2-4-9(12)11(8)13/h2-4H,5-7H2,1H3,(H3,14,15)
InChIKeyLLETZIKRAJXCHX-UHFFFAOYSA-N
XLogP1.72
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 51.72
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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Related Compounds

ethyl 3-[(2,3-difluorophenyl)methyl-methylamino]propanoate
CID 62012016
3-[(4-fluoro-2-methylphenyl)methyl-methylamino]propanimidamide
CID 114346088
3-[(2,5-dichlorophenyl)methyl-methylamino]propanimidamide
CID 65317630
3-[(2-fluorophenyl)methyl-methylamino]propanamide
CID 60647903
3-[methyl(quinolin-4-ylmethyl)amino]propanimidamide
CID 79234905
3-[N-[(3-chloro-2-fluorophenyl)methyl]anilino]propanimidamide
CID 102856088
4-[(4-fluorophenyl)methyl-methylamino]butanimidamide
CID 61413635
3-[(2-chloro-6-fluorophenyl)methyl-propan-2-ylamino]propanimidamide
CID 54996527
3-[imidazo[1,2-a]pyridin-2-ylmethyl(methyl)amino]propanimidamide
CID 43186266
2-(3-fluoro-2-hydroxyphenyl)ethanimidamide
CID 83676622
3-[methyl(thiophen-3-ylmethyl)amino]propanimidamide
CID 43528289
3-[(2-fluorophenyl)methyl-methylamino]propan-1-ol
CID 60674294

Frequently Asked Questions

What is the IUPAC name of 3-[(2,3-difluorophenyl)methyl-methylamino]propanimidamide?
The IUPAC name of 3-[(2,3-difluorophenyl)methyl-methylamino]propanimidamide (CID 43658900) is 3-[(2,3-difluorophenyl)methyl-methylamino]propanimidamide.
What is the SMILES notation for 3-[(2,3-difluorophenyl)methyl-methylamino]propanimidamide?
The canonical SMILES for 3-[(2,3-difluorophenyl)methyl-methylamino]propanimidamide is [H]/N=C(\N)CCN(C)Cc1cccc(F)c1F.
What is the InChIKey of 3-[(2,3-difluorophenyl)methyl-methylamino]propanimidamide?
The InChIKey is LLETZIKRAJXCHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2N3/c1-16(6-5-10(14)15)7-8-3-2-4-9(12)11(8)13/h2-4H,5-7H2,1H3,(H3,14,15).
What are the key properties of 3-[(2,3-difluorophenyl)methyl-methylamino]propanimidamide?
3-[(2,3-difluorophenyl)methyl-methylamino]propanimidamide has a molecular weight of 227.26 g/mol, XLogP of 1.72, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,3-difluorophenyl)methyl-methylamino]propanimidamide is sourced from PubChem (CID 43658900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).