1-(2-ethylimidazol-1-yl)-1-(3-fluorophenyl)butan-2-amine

C15H20FN3 — CID 55020060

IUPAC1-(2-ethylimidazol-1-yl)-1-(3-fluorophenyl)butan-2-amine
SMILESCCc1nccn1C(c1cccc(F)c1)C(N)CC
InChIInChI=1S/C15H20FN3/c1-3-13(17)15(11-6-5-7-12(16)10-11)19-9-8-18-14(19)4-2/h5-10,13,15H,3-4,17H2,1-2H3
InChIKeyULEJFPZRAQTXCE-UHFFFAOYSA-N
MW261.34 g/mol
LogP2.91
Rot. Bonds5

About 1-(2-ethylimidazol-1-yl)-1-(3-fluorophenyl)butan-2-amine

1-(2-ethylimidazol-1-yl)-1-(3-fluorophenyl)butan-2-amine (PubChem CID 55020060) has the molecular formula C15H20FN3 and a molecular weight of 261.34 g/mol. Its IUPAC name is 1-(2-ethylimidazol-1-yl)-1-(3-fluorophenyl)butan-2-amine.

Molecular Properties

Compound Name1-(2-ethylimidazol-1-yl)-1-(3-fluorophenyl)butan-2-amine
PubChem CID55020060
Molecular FormulaC15H20FN3
Molecular Weight261.34 g/mol
Exact Mass261.16
IUPAC Name1-(2-ethylimidazol-1-yl)-1-(3-fluorophenyl)butan-2-amine
SMILESCCc1nccn1C(c1cccc(F)c1)C(N)CC
InChIInChI=1S/C15H20FN3/c1-3-13(17)15(11-6-5-7-12(16)10-11)19-9-8-18-14(19)4-2/h5-10,13,15H,3-4,17H2,1-2H3
InChIKeyULEJFPZRAQTXCE-UHFFFAOYSA-N
XLogP2.91
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.34
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylimidazol-1-yl)-1-(3-fluorophenyl)butan-2-amine?
The IUPAC name of 1-(2-ethylimidazol-1-yl)-1-(3-fluorophenyl)butan-2-amine (CID 55020060) is 1-(2-ethylimidazol-1-yl)-1-(3-fluorophenyl)butan-2-amine.
What is the SMILES notation for 1-(2-ethylimidazol-1-yl)-1-(3-fluorophenyl)butan-2-amine?
The canonical SMILES for 1-(2-ethylimidazol-1-yl)-1-(3-fluorophenyl)butan-2-amine is CCc1nccn1C(c1cccc(F)c1)C(N)CC.
What is the InChIKey of 1-(2-ethylimidazol-1-yl)-1-(3-fluorophenyl)butan-2-amine?
The InChIKey is ULEJFPZRAQTXCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3/c1-3-13(17)15(11-6-5-7-12(16)10-11)19-9-8-18-14(19)4-2/h5-10,13,15H,3-4,17H2,1-2H3.
What are the key properties of 1-(2-ethylimidazol-1-yl)-1-(3-fluorophenyl)butan-2-amine?
1-(2-ethylimidazol-1-yl)-1-(3-fluorophenyl)butan-2-amine has a molecular weight of 261.34 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylimidazol-1-yl)-1-(3-fluorophenyl)butan-2-amine is sourced from PubChem (CID 55020060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).