2-[4-(4-fluorophenyl)-2-methyl-1H-imidazol-5-yl]ethanamine

C12H14FN3 — CID 82285806

IUPAC2-[4-(4-fluorophenyl)-2-methyl-1H-imidazol-5-yl]ethanamine
SMILESCc1nc(-c2ccc(F)cc2)c(CCN)[nH]1
InChIInChI=1S/C12H14FN3/c1-8-15-11(6-7-14)12(16-8)9-2-4-10(13)5-3-9/h2-5H,6-7,14H2,1H3,(H,15,16)
InChIKeyYKTYSSIWDHEBAZ-UHFFFAOYSA-N
MW219.26 g/mol
LogP2.03
Rot. Bonds3

About 2-[4-(4-fluorophenyl)-2-methyl-1H-imidazol-5-yl]ethanamine

2-[4-(4-fluorophenyl)-2-methyl-1H-imidazol-5-yl]ethanamine (PubChem CID 82285806) has the molecular formula C12H14FN3 and a molecular weight of 219.26 g/mol. Its IUPAC name is 2-[4-(4-fluorophenyl)-2-methyl-1H-imidazol-5-yl]ethanamine.

Molecular Properties

Compound Name2-[4-(4-fluorophenyl)-2-methyl-1H-imidazol-5-yl]ethanamine
PubChem CID82285806
Molecular FormulaC12H14FN3
Molecular Weight219.26 g/mol
Exact Mass219.12
IUPAC Name2-[4-(4-fluorophenyl)-2-methyl-1H-imidazol-5-yl]ethanamine
SMILESCc1nc(-c2ccc(F)cc2)c(CCN)[nH]1
InChIInChI=1S/C12H14FN3/c1-8-15-11(6-7-14)12(16-8)9-2-4-10(13)5-3-9/h2-5H,6-7,14H2,1H3,(H,15,16)
InChIKeyYKTYSSIWDHEBAZ-UHFFFAOYSA-N
XLogP2.03
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorophenyl)-2-methyl-1H-imidazol-5-yl]ethanamine?
The IUPAC name of 2-[4-(4-fluorophenyl)-2-methyl-1H-imidazol-5-yl]ethanamine (CID 82285806) is 2-[4-(4-fluorophenyl)-2-methyl-1H-imidazol-5-yl]ethanamine.
What is the SMILES notation for 2-[4-(4-fluorophenyl)-2-methyl-1H-imidazol-5-yl]ethanamine?
The canonical SMILES for 2-[4-(4-fluorophenyl)-2-methyl-1H-imidazol-5-yl]ethanamine is Cc1nc(-c2ccc(F)cc2)c(CCN)[nH]1.
What is the InChIKey of 2-[4-(4-fluorophenyl)-2-methyl-1H-imidazol-5-yl]ethanamine?
The InChIKey is YKTYSSIWDHEBAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3/c1-8-15-11(6-7-14)12(16-8)9-2-4-10(13)5-3-9/h2-5H,6-7,14H2,1H3,(H,15,16).
What are the key properties of 2-[4-(4-fluorophenyl)-2-methyl-1H-imidazol-5-yl]ethanamine?
2-[4-(4-fluorophenyl)-2-methyl-1H-imidazol-5-yl]ethanamine has a molecular weight of 219.26 g/mol, XLogP of 2.03, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorophenyl)-2-methyl-1H-imidazol-5-yl]ethanamine is sourced from PubChem (CID 82285806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).