[4-(4,5-dimethylimidazol-1-yl)-3-fluorophenyl]methanamine

C12H14FN3 — CID 62349826

IUPAC[4-(4,5-dimethylimidazol-1-yl)-3-fluorophenyl]methanamine
SMILESCc1ncn(-c2ccc(CN)cc2F)c1C
InChIInChI=1S/C12H14FN3/c1-8-9(2)16(7-15-8)12-4-3-10(6-14)5-11(12)13/h3-5,7H,6,14H2,1-2H3
InChIKeyJPQOZLQJMPHHQG-UHFFFAOYSA-N
MW219.26 g/mol
LogP2.09
Rot. Bonds2

About [4-(4,5-dimethylimidazol-1-yl)-3-fluorophenyl]methanamine

[4-(4,5-dimethylimidazol-1-yl)-3-fluorophenyl]methanamine (PubChem CID 62349826) has the molecular formula C12H14FN3 and a molecular weight of 219.26 g/mol. Its IUPAC name is [4-(4,5-dimethylimidazol-1-yl)-3-fluorophenyl]methanamine.

Molecular Properties

Compound Name[4-(4,5-dimethylimidazol-1-yl)-3-fluorophenyl]methanamine
PubChem CID62349826
Molecular FormulaC12H14FN3
Molecular Weight219.26 g/mol
Exact Mass219.12
IUPAC Name[4-(4,5-dimethylimidazol-1-yl)-3-fluorophenyl]methanamine
SMILESCc1ncn(-c2ccc(CN)cc2F)c1C
InChIInChI=1S/C12H14FN3/c1-8-9(2)16(7-15-8)12-4-3-10(6-14)5-11(12)13/h3-5,7H,6,14H2,1-2H3
InChIKeyJPQOZLQJMPHHQG-UHFFFAOYSA-N
XLogP2.09
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(4,5-dimethylimidazol-1-yl)-3-fluorophenyl]methanamine?
The IUPAC name of [4-(4,5-dimethylimidazol-1-yl)-3-fluorophenyl]methanamine (CID 62349826) is [4-(4,5-dimethylimidazol-1-yl)-3-fluorophenyl]methanamine.
What is the SMILES notation for [4-(4,5-dimethylimidazol-1-yl)-3-fluorophenyl]methanamine?
The canonical SMILES for [4-(4,5-dimethylimidazol-1-yl)-3-fluorophenyl]methanamine is Cc1ncn(-c2ccc(CN)cc2F)c1C.
What is the InChIKey of [4-(4,5-dimethylimidazol-1-yl)-3-fluorophenyl]methanamine?
The InChIKey is JPQOZLQJMPHHQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3/c1-8-9(2)16(7-15-8)12-4-3-10(6-14)5-11(12)13/h3-5,7H,6,14H2,1-2H3.
What are the key properties of [4-(4,5-dimethylimidazol-1-yl)-3-fluorophenyl]methanamine?
[4-(4,5-dimethylimidazol-1-yl)-3-fluorophenyl]methanamine has a molecular weight of 219.26 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4,5-dimethylimidazol-1-yl)-3-fluorophenyl]methanamine is sourced from PubChem (CID 62349826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).