1-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]cyclobutan-1-amine

C14H16FN3 — CID 117365262

IUPAC1-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]cyclobutan-1-amine
SMILESCc1nccn1-c1ccc(C2(N)CCC2)cc1F
InChIInChI=1S/C14H16FN3/c1-10-17-7-8-18(10)13-4-3-11(9-12(13)15)14(16)5-2-6-14/h3-4,7-9H,2,5-6,16H2,1H3
InChIKeyHFTOHFIHIUHBBT-UHFFFAOYSA-N
MW245.30 g/mol
LogP2.66
Rot. Bonds2

About 1-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]cyclobutan-1-amine

1-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]cyclobutan-1-amine (PubChem CID 117365262) has the molecular formula C14H16FN3 and a molecular weight of 245.30 g/mol. Its IUPAC name is 1-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]cyclobutan-1-amine.

Molecular Properties

Compound Name1-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]cyclobutan-1-amine
PubChem CID117365262
Molecular FormulaC14H16FN3
Molecular Weight245.30 g/mol
Exact Mass245.13
IUPAC Name1-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]cyclobutan-1-amine
SMILESCc1nccn1-c1ccc(C2(N)CCC2)cc1F
InChIInChI=1S/C14H16FN3/c1-10-17-7-8-18(10)13-4-3-11(9-12(13)15)14(16)5-2-6-14/h3-4,7-9H,2,5-6,16H2,1H3
InChIKeyHFTOHFIHIUHBBT-UHFFFAOYSA-N
XLogP2.66
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]cyclobutan-1-amine?
The IUPAC name of 1-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]cyclobutan-1-amine (CID 117365262) is 1-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]cyclobutan-1-amine.
What is the SMILES notation for 1-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]cyclobutan-1-amine?
The canonical SMILES for 1-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]cyclobutan-1-amine is Cc1nccn1-c1ccc(C2(N)CCC2)cc1F.
What is the InChIKey of 1-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]cyclobutan-1-amine?
The InChIKey is HFTOHFIHIUHBBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3/c1-10-17-7-8-18(10)13-4-3-11(9-12(13)15)14(16)5-2-6-14/h3-4,7-9H,2,5-6,16H2,1H3.
What are the key properties of 1-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]cyclobutan-1-amine?
1-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]cyclobutan-1-amine has a molecular weight of 245.30 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]cyclobutan-1-amine is sourced from PubChem (CID 117365262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).