1-[2-(4-fluorophenyl)ethyl]-N-(2-methoxyethyl)imidazol-2-amine

C14H18FN3O — CID 106556060

IUPAC1-[2-(4-fluorophenyl)ethyl]-N-(2-methoxyethyl)imidazol-2-amine
SMILESCOCCNc1nccn1CCc1ccc(F)cc1
InChIInChI=1S/C14H18FN3O/c1-19-11-8-17-14-16-7-10-18(14)9-6-12-2-4-13(15)5-3-12/h2-5,7,10H,6,8-9,11H2,1H3,(H,16,17)
InChIKeyGXSLPFXYRNSOHO-UHFFFAOYSA-N
MW263.32 g/mol
LogP2.32
Rot. Bonds7

About 1-[2-(4-fluorophenyl)ethyl]-N-(2-methoxyethyl)imidazol-2-amine

1-[2-(4-fluorophenyl)ethyl]-N-(2-methoxyethyl)imidazol-2-amine (PubChem CID 106556060) has the molecular formula C14H18FN3O and a molecular weight of 263.32 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)ethyl]-N-(2-methoxyethyl)imidazol-2-amine.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)ethyl]-N-(2-methoxyethyl)imidazol-2-amine
PubChem CID106556060
Molecular FormulaC14H18FN3O
Molecular Weight263.32 g/mol
Exact Mass263.14
IUPAC Name1-[2-(4-fluorophenyl)ethyl]-N-(2-methoxyethyl)imidazol-2-amine
SMILESCOCCNc1nccn1CCc1ccc(F)cc1
InChIInChI=1S/C14H18FN3O/c1-19-11-8-17-14-16-7-10-18(14)9-6-12-2-4-13(15)5-3-12/h2-5,7,10H,6,8-9,11H2,1H3,(H,16,17)
InChIKeyGXSLPFXYRNSOHO-UHFFFAOYSA-N
XLogP2.32
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 52.32
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-(3-fluorophenyl)ethyl]-N-(3-methoxypropyl)imidazol-2-amine
CID 106562539
1-(2-methoxyethyl)-N-[2-(4-methoxyphenyl)ethyl]imidazol-2-amine
CID 106556779
N-(3-methoxypropyl)-1-[2-(1-methylimidazol-2-yl)ethyl]imidazol-2-amine
CID 106568485
1-(2-methoxyethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-amine
CID 106570701
1-[(2,4-difluorophenyl)methyl]-N-(3-methoxypropyl)imidazol-2-amine
CID 106569818
N-(3-methoxypropyl)-1-(2-thiophen-2-ylethyl)imidazol-2-amine
CID 106559088
N-[(2,4-difluorophenyl)methyl]-1-(3-methoxypropyl)imidazol-2-amine
CID 106569801
1-(3-methoxypropyl)-N-[(4-methylphenyl)methyl]imidazol-2-amine
CID 106559873
1-(2-ethoxy-2-methylpropyl)-N-(2-methoxyethyl)imidazol-2-amine
CID 106583274
N-(3-methoxypropyl)-1-octylimidazol-2-amine
CID 106578886
N-[4-(2-methoxyethoxy)butyl]-1-(2-methoxyethyl)imidazol-2-amine
CID 106581208
N-(3-ethoxypropyl)-1-(2-methoxyethyl)imidazol-2-amine
CID 106554857

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)ethyl]-N-(2-methoxyethyl)imidazol-2-amine?
The IUPAC name of 1-[2-(4-fluorophenyl)ethyl]-N-(2-methoxyethyl)imidazol-2-amine (CID 106556060) is 1-[2-(4-fluorophenyl)ethyl]-N-(2-methoxyethyl)imidazol-2-amine.
What is the SMILES notation for 1-[2-(4-fluorophenyl)ethyl]-N-(2-methoxyethyl)imidazol-2-amine?
The canonical SMILES for 1-[2-(4-fluorophenyl)ethyl]-N-(2-methoxyethyl)imidazol-2-amine is COCCNc1nccn1CCc1ccc(F)cc1.
What is the InChIKey of 1-[2-(4-fluorophenyl)ethyl]-N-(2-methoxyethyl)imidazol-2-amine?
The InChIKey is GXSLPFXYRNSOHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O/c1-19-11-8-17-14-16-7-10-18(14)9-6-12-2-4-13(15)5-3-12/h2-5,7,10H,6,8-9,11H2,1H3,(H,16,17).
What are the key properties of 1-[2-(4-fluorophenyl)ethyl]-N-(2-methoxyethyl)imidazol-2-amine?
1-[2-(4-fluorophenyl)ethyl]-N-(2-methoxyethyl)imidazol-2-amine has a molecular weight of 263.32 g/mol, XLogP of 2.32, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenyl)ethyl]-N-(2-methoxyethyl)imidazol-2-amine is sourced from PubChem (CID 106556060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).