N-[[2-(3-fluorophenyl)-1H-imidazol-5-yl]methyl]ethanamine

C12H14FN3 — CID 63108691

IUPACN-[[2-(3-fluorophenyl)-1H-imidazol-5-yl]methyl]ethanamine
SMILESCCNCc1cnc(-c2cccc(F)c2)[nH]1
InChIInChI=1S/C12H14FN3/c1-2-14-7-11-8-15-12(16-11)9-4-3-5-10(13)6-9/h3-6,8,14H,2,7H2,1H3,(H,15,16)
InChIKeyOYOBRRWWSIANAF-UHFFFAOYSA-N
MW219.26 g/mol
LogP2.33
Rot. Bonds4

About N-[[2-(3-fluorophenyl)-1H-imidazol-5-yl]methyl]ethanamine

N-[[2-(3-fluorophenyl)-1H-imidazol-5-yl]methyl]ethanamine (PubChem CID 63108691) has the molecular formula C12H14FN3 and a molecular weight of 219.26 g/mol. Its IUPAC name is N-[[2-(3-fluorophenyl)-1H-imidazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(3-fluorophenyl)-1H-imidazol-5-yl]methyl]ethanamine
PubChem CID63108691
Molecular FormulaC12H14FN3
Molecular Weight219.26 g/mol
Exact Mass219.12
IUPAC NameN-[[2-(3-fluorophenyl)-1H-imidazol-5-yl]methyl]ethanamine
SMILESCCNCc1cnc(-c2cccc(F)c2)[nH]1
InChIInChI=1S/C12H14FN3/c1-2-14-7-11-8-15-12(16-11)9-4-3-5-10(13)6-9/h3-6,8,14H,2,7H2,1H3,(H,15,16)
InChIKeyOYOBRRWWSIANAF-UHFFFAOYSA-N
XLogP2.33
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-fluorophenyl)-1H-imidazol-5-yl]methyl]ethanamine?
The IUPAC name of N-[[2-(3-fluorophenyl)-1H-imidazol-5-yl]methyl]ethanamine (CID 63108691) is N-[[2-(3-fluorophenyl)-1H-imidazol-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(3-fluorophenyl)-1H-imidazol-5-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-(3-fluorophenyl)-1H-imidazol-5-yl]methyl]ethanamine is CCNCc1cnc(-c2cccc(F)c2)[nH]1.
What is the InChIKey of N-[[2-(3-fluorophenyl)-1H-imidazol-5-yl]methyl]ethanamine?
The InChIKey is OYOBRRWWSIANAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3/c1-2-14-7-11-8-15-12(16-11)9-4-3-5-10(13)6-9/h3-6,8,14H,2,7H2,1H3,(H,15,16).
What are the key properties of N-[[2-(3-fluorophenyl)-1H-imidazol-5-yl]methyl]ethanamine?
N-[[2-(3-fluorophenyl)-1H-imidazol-5-yl]methyl]ethanamine has a molecular weight of 219.26 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-fluorophenyl)-1H-imidazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 63108691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).