1-(2,3-difluorophenyl)-N-(2-methoxyethyl)-4-methylimidazol-2-amine

C13H15F2N3O — CID 106563610

IUPAC1-(2,3-difluorophenyl)-N-(2-methoxyethyl)-4-methylimidazol-2-amine
SMILESCOCCNc1nc(C)cn1-c1cccc(F)c1F
InChIInChI=1S/C13H15F2N3O/c1-9-8-18(13(17-9)16-6-7-19-2)11-5-3-4-10(14)12(11)15/h3-5,8H,6-7H2,1-2H3,(H,16,17)
InChIKeyJFPULLXGRBVAGN-UHFFFAOYSA-N
MW267.28 g/mol
LogP2.52
Rot. Bonds5

About 1-(2,3-difluorophenyl)-N-(2-methoxyethyl)-4-methylimidazol-2-amine

1-(2,3-difluorophenyl)-N-(2-methoxyethyl)-4-methylimidazol-2-amine (PubChem CID 106563610) has the molecular formula C13H15F2N3O and a molecular weight of 267.28 g/mol. Its IUPAC name is 1-(2,3-difluorophenyl)-N-(2-methoxyethyl)-4-methylimidazol-2-amine.

Molecular Properties

Compound Name1-(2,3-difluorophenyl)-N-(2-methoxyethyl)-4-methylimidazol-2-amine
PubChem CID106563610
Molecular FormulaC13H15F2N3O
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC Name1-(2,3-difluorophenyl)-N-(2-methoxyethyl)-4-methylimidazol-2-amine
SMILESCOCCNc1nc(C)cn1-c1cccc(F)c1F
InChIInChI=1S/C13H15F2N3O/c1-9-8-18(13(17-9)16-6-7-19-2)11-5-3-4-10(14)12(11)15/h3-5,8H,6-7H2,1-2H3,(H,16,17)
InChIKeyJFPULLXGRBVAGN-UHFFFAOYSA-N
XLogP2.52
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2-fluorophenyl)-N-(2-methoxyethyl)-4-methylimidazol-2-amine
CID 106558908
N-(2-methoxyethyl)-4-methyl-1-(2,3,4-trifluorophenyl)imidazol-2-amine
CID 106556809
N-(2-methoxyethyl)-4-methyl-1-(2-propylphenyl)imidazol-2-amine
CID 106567372
1-(5-bromo-2,4-difluorophenyl)-N-(2-methoxyethyl)-4-methylimidazol-2-amine
CID 106583039
1-(2-chloro-4-fluorophenyl)-N-(2-methoxyethyl)-4-methylimidazol-2-amine
CID 106554124
1-(2-chlorophenyl)-N-(3-methoxypropyl)-4-methylimidazol-2-amine
CID 106558787
1-(2,5-dibromophenyl)-N-(2-methoxyethyl)-4-methylimidazol-2-amine
CID 106566380
1-(3-chloro-4-methylphenyl)-N-(2-methoxyethyl)-4-methylimidazol-2-amine
CID 106555475
1-(2-bromo-6-chloro-4-fluorophenyl)-N-(2-methoxyethyl)-4-methylimidazol-2-amine
CID 107618196
1-(2-bromo-5-chlorophenyl)-N-(3-methoxypropyl)-4-methylimidazol-2-amine
CID 106577977
1-(2,4-dibromophenyl)-N-(3-methoxypropyl)-4-methylimidazol-2-amine
CID 106568745
1-(2,5-difluorophenyl)-4-methyl-N-propylimidazol-2-amine
CID 106556858

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-difluorophenyl)-N-(2-methoxyethyl)-4-methylimidazol-2-amine?
The IUPAC name of 1-(2,3-difluorophenyl)-N-(2-methoxyethyl)-4-methylimidazol-2-amine (CID 106563610) is 1-(2,3-difluorophenyl)-N-(2-methoxyethyl)-4-methylimidazol-2-amine.
What is the SMILES notation for 1-(2,3-difluorophenyl)-N-(2-methoxyethyl)-4-methylimidazol-2-amine?
The canonical SMILES for 1-(2,3-difluorophenyl)-N-(2-methoxyethyl)-4-methylimidazol-2-amine is COCCNc1nc(C)cn1-c1cccc(F)c1F.
What is the InChIKey of 1-(2,3-difluorophenyl)-N-(2-methoxyethyl)-4-methylimidazol-2-amine?
The InChIKey is JFPULLXGRBVAGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2N3O/c1-9-8-18(13(17-9)16-6-7-19-2)11-5-3-4-10(14)12(11)15/h3-5,8H,6-7H2,1-2H3,(H,16,17).
What are the key properties of 1-(2,3-difluorophenyl)-N-(2-methoxyethyl)-4-methylimidazol-2-amine?
1-(2,3-difluorophenyl)-N-(2-methoxyethyl)-4-methylimidazol-2-amine has a molecular weight of 267.28 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-difluorophenyl)-N-(2-methoxyethyl)-4-methylimidazol-2-amine is sourced from PubChem (CID 106563610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).