1-[2-(3-fluorophenyl)ethyl]-N-(3-methoxypropyl)imidazol-2-amine

C15H20FN3O — CID 106562539

IUPAC1-[2-(3-fluorophenyl)ethyl]-N-(3-methoxypropyl)imidazol-2-amine
SMILESCOCCCNc1nccn1CCc1cccc(F)c1
InChIInChI=1S/C15H20FN3O/c1-20-11-3-7-17-15-18-8-10-19(15)9-6-13-4-2-5-14(16)12-13/h2,4-5,8,10,12H,3,6-7,9,11H2,1H3,(H,17,18)
InChIKeyAZTNEHQDLVDXMP-UHFFFAOYSA-N
MW277.34 g/mol
LogP2.71
Rot. Bonds8

About 1-[2-(3-fluorophenyl)ethyl]-N-(3-methoxypropyl)imidazol-2-amine

1-[2-(3-fluorophenyl)ethyl]-N-(3-methoxypropyl)imidazol-2-amine (PubChem CID 106562539) has the molecular formula C15H20FN3O and a molecular weight of 277.34 g/mol. Its IUPAC name is 1-[2-(3-fluorophenyl)ethyl]-N-(3-methoxypropyl)imidazol-2-amine.

Molecular Properties

Compound Name1-[2-(3-fluorophenyl)ethyl]-N-(3-methoxypropyl)imidazol-2-amine
PubChem CID106562539
Molecular FormulaC15H20FN3O
Molecular Weight277.34 g/mol
Exact Mass277.16
IUPAC Name1-[2-(3-fluorophenyl)ethyl]-N-(3-methoxypropyl)imidazol-2-amine
SMILESCOCCCNc1nccn1CCc1cccc(F)c1
InChIInChI=1S/C15H20FN3O/c1-20-11-3-7-17-15-18-8-10-19(15)9-6-13-4-2-5-14(16)12-13/h2,4-5,8,10,12H,3,6-7,9,11H2,1H3,(H,17,18)
InChIKeyAZTNEHQDLVDXMP-UHFFFAOYSA-N
XLogP2.71
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 52.71
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-(4-fluorophenyl)ethyl]-N-(2-methoxyethyl)imidazol-2-amine
CID 106556060
N-(3-methoxypropyl)-1-[(3-methylphenyl)methyl]imidazol-2-amine
CID 106563262
1-[(3-chlorophenyl)methyl]-N-(3-methoxypropyl)imidazol-2-amine
CID 106570134
N-(3-methoxypropyl)-1-(2-thiophen-2-ylethyl)imidazol-2-amine
CID 106559088
1-[(2,4-difluorophenyl)methyl]-N-(3-methoxypropyl)imidazol-2-amine
CID 106569818
N-(3-methoxypropyl)-1-[2-(1-methylimidazol-2-yl)ethyl]imidazol-2-amine
CID 106568485
N-cyclopentyl-1-[2-(3-fluorophenyl)ethyl]imidazol-2-amine
CID 106562507
N-(3-methoxypropyl)-1-[(6-methyl-2-pyridinyl)methyl]imidazol-2-amine
CID 106569348
1-[4-(2-methoxyethoxy)butyl]-N-(3-methoxypropyl)imidazol-2-amine
CID 106581197
N-(3-methoxypropyl)-1-octylimidazol-2-amine
CID 106578886
N-[(2,4-difluorophenyl)methyl]-1-(3-methoxypropyl)imidazol-2-amine
CID 106569801
N-(3-ethoxypropyl)-1-(2-methoxyethyl)imidazol-2-amine
CID 106554857

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-fluorophenyl)ethyl]-N-(3-methoxypropyl)imidazol-2-amine?
The IUPAC name of 1-[2-(3-fluorophenyl)ethyl]-N-(3-methoxypropyl)imidazol-2-amine (CID 106562539) is 1-[2-(3-fluorophenyl)ethyl]-N-(3-methoxypropyl)imidazol-2-amine.
What is the SMILES notation for 1-[2-(3-fluorophenyl)ethyl]-N-(3-methoxypropyl)imidazol-2-amine?
The canonical SMILES for 1-[2-(3-fluorophenyl)ethyl]-N-(3-methoxypropyl)imidazol-2-amine is COCCCNc1nccn1CCc1cccc(F)c1.
What is the InChIKey of 1-[2-(3-fluorophenyl)ethyl]-N-(3-methoxypropyl)imidazol-2-amine?
The InChIKey is AZTNEHQDLVDXMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O/c1-20-11-3-7-17-15-18-8-10-19(15)9-6-13-4-2-5-14(16)12-13/h2,4-5,8,10,12H,3,6-7,9,11H2,1H3,(H,17,18).
What are the key properties of 1-[2-(3-fluorophenyl)ethyl]-N-(3-methoxypropyl)imidazol-2-amine?
1-[2-(3-fluorophenyl)ethyl]-N-(3-methoxypropyl)imidazol-2-amine has a molecular weight of 277.34 g/mol, XLogP of 2.71, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-fluorophenyl)ethyl]-N-(3-methoxypropyl)imidazol-2-amine is sourced from PubChem (CID 106562539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).