2-[5-(3-fluoro-4-methoxyphenyl)-1H-imidazol-2-yl]propan-1-amine

C13H16FN3O — CID 65233281

IUPAC2-[5-(3-fluoro-4-methoxyphenyl)-1H-imidazol-2-yl]propan-1-amine
SMILESCOc1ccc(-c2cnc(C(C)CN)[nH]2)cc1F
InChIInChI=1S/C13H16FN3O/c1-8(6-15)13-16-7-11(17-13)9-3-4-12(18-2)10(14)5-9/h3-5,7-8H,6,15H2,1-2H3,(H,16,17)
InChIKeyJUHIIPLECDJUSZ-UHFFFAOYSA-N
MW249.29 g/mol
LogP2.29
Rot. Bonds4

About 2-[5-(3-fluoro-4-methoxyphenyl)-1H-imidazol-2-yl]propan-1-amine

2-[5-(3-fluoro-4-methoxyphenyl)-1H-imidazol-2-yl]propan-1-amine (PubChem CID 65233281) has the molecular formula C13H16FN3O and a molecular weight of 249.29 g/mol. Its IUPAC name is 2-[5-(3-fluoro-4-methoxyphenyl)-1H-imidazol-2-yl]propan-1-amine.

Molecular Properties

Compound Name2-[5-(3-fluoro-4-methoxyphenyl)-1H-imidazol-2-yl]propan-1-amine
PubChem CID65233281
Molecular FormulaC13H16FN3O
Molecular Weight249.29 g/mol
Exact Mass249.13
IUPAC Name2-[5-(3-fluoro-4-methoxyphenyl)-1H-imidazol-2-yl]propan-1-amine
SMILESCOc1ccc(-c2cnc(C(C)CN)[nH]2)cc1F
InChIInChI=1S/C13H16FN3O/c1-8(6-15)13-16-7-11(17-13)9-3-4-12(18-2)10(14)5-9/h3-5,7-8H,6,15H2,1-2H3,(H,16,17)
InChIKeyJUHIIPLECDJUSZ-UHFFFAOYSA-N
XLogP2.29
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-(4-methoxy-3-methylphenyl)-1H-imidazol-2-yl]propan-1-amine
CID 116876636
6-[5-(3-fluoro-4-methoxyphenyl)-1H-imidazol-2-yl]hexan-1-amine
CID 43651738
cyclohexyl-[5-(3-fluoro-4-methoxyphenyl)-1H-imidazol-2-yl]methanamine
CID 67214797
2-[5-(5-ethyl-2-methoxyphenyl)-1H-imidazol-2-yl]propan-1-amine
CID 116876649
3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]butan-1-amine
CID 80544451
3-[5-(3,4-dimethylphenyl)-1H-imidazol-2-yl]butan-1-amine
CID 80544302
1-[5-(3,4-dimethoxyphenyl)-1H-imidazol-2-yl]-3-methylbutan-1-amine
CID 43651303
2-[5-[4-(2-methylpropyl)phenyl]-1H-imidazol-2-yl]propan-1-amine
CID 65232619
2-[5-(2-fluorophenyl)-1H-imidazol-2-yl]propan-1-amine
CID 65232799
N-[[5-(3-fluoro-4-methoxyphenyl)-1H-imidazol-2-yl]methyl]-2-methoxyethanamine
CID 63956925
[6-(3-fluoro-4-methoxyphenyl)-3-pyridinyl]methanamine
CID 83918620
[5-(4-methoxy-3-methylphenyl)-1H-imidazol-2-yl]methanamine
CID 82285154

Frequently Asked Questions

What is the IUPAC name of 2-[5-(3-fluoro-4-methoxyphenyl)-1H-imidazol-2-yl]propan-1-amine?
The IUPAC name of 2-[5-(3-fluoro-4-methoxyphenyl)-1H-imidazol-2-yl]propan-1-amine (CID 65233281) is 2-[5-(3-fluoro-4-methoxyphenyl)-1H-imidazol-2-yl]propan-1-amine.
What is the SMILES notation for 2-[5-(3-fluoro-4-methoxyphenyl)-1H-imidazol-2-yl]propan-1-amine?
The canonical SMILES for 2-[5-(3-fluoro-4-methoxyphenyl)-1H-imidazol-2-yl]propan-1-amine is COc1ccc(-c2cnc(C(C)CN)[nH]2)cc1F.
What is the InChIKey of 2-[5-(3-fluoro-4-methoxyphenyl)-1H-imidazol-2-yl]propan-1-amine?
The InChIKey is JUHIIPLECDJUSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O/c1-8(6-15)13-16-7-11(17-13)9-3-4-12(18-2)10(14)5-9/h3-5,7-8H,6,15H2,1-2H3,(H,16,17).
What are the key properties of 2-[5-(3-fluoro-4-methoxyphenyl)-1H-imidazol-2-yl]propan-1-amine?
2-[5-(3-fluoro-4-methoxyphenyl)-1H-imidazol-2-yl]propan-1-amine has a molecular weight of 249.29 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3-fluoro-4-methoxyphenyl)-1H-imidazol-2-yl]propan-1-amine is sourced from PubChem (CID 65233281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).