(2R)-2-(5-bromo-2-fluorophenyl)-1-(5-ethyl-4-methylimidazol-1-yl)propan-2-amine

C15H19BrFN3 — CID 121298024

IUPAC(2R)-2-(5-bromo-2-fluorophenyl)-1-(5-ethyl-4-methylimidazol-1-yl)propan-2-amine
SMILESCCc1c(C)ncn1C[C@](C)(N)c1cc(Br)ccc1F
InChIInChI=1S/C15H19BrFN3/c1-4-14-10(2)19-9-20(14)8-15(3,18)12-7-11(16)5-6-13(12)17/h5-7,9H,4,8,18H2,1-3H3/t15-/m0/s1
InChIKeyZRCORBCCQCBXEG-HNNXBMFYSA-N
MW340.24 g/mol
LogP3.53
Rot. Bonds4

About (2R)-2-(5-bromo-2-fluorophenyl)-1-(5-ethyl-4-methylimidazol-1-yl)propan-2-amine

(2R)-2-(5-bromo-2-fluorophenyl)-1-(5-ethyl-4-methylimidazol-1-yl)propan-2-amine (PubChem CID 121298024) has the molecular formula C15H19BrFN3 and a molecular weight of 340.24 g/mol. Its IUPAC name is (2R)-2-(5-bromo-2-fluorophenyl)-1-(5-ethyl-4-methylimidazol-1-yl)propan-2-amine.

Molecular Properties

Compound Name(2R)-2-(5-bromo-2-fluorophenyl)-1-(5-ethyl-4-methylimidazol-1-yl)propan-2-amine
PubChem CID121298024
Molecular FormulaC15H19BrFN3
Molecular Weight340.24 g/mol
Exact Mass339.07
IUPAC Name(2R)-2-(5-bromo-2-fluorophenyl)-1-(5-ethyl-4-methylimidazol-1-yl)propan-2-amine
SMILESCCc1c(C)ncn1C[C@](C)(N)c1cc(Br)ccc1F
InChIInChI=1S/C15H19BrFN3/c1-4-14-10(2)19-9-20(14)8-15(3,18)12-7-11(16)5-6-13(12)17/h5-7,9H,4,8,18H2,1-3H3/t15-/m0/s1
InChIKeyZRCORBCCQCBXEG-HNNXBMFYSA-N
XLogP3.53
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.24
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(5-bromo-2-fluorophenyl)-1-(5-ethyl-4-methylimidazol-1-yl)propan-2-amine?
The IUPAC name of (2R)-2-(5-bromo-2-fluorophenyl)-1-(5-ethyl-4-methylimidazol-1-yl)propan-2-amine (CID 121298024) is (2R)-2-(5-bromo-2-fluorophenyl)-1-(5-ethyl-4-methylimidazol-1-yl)propan-2-amine.
What is the SMILES notation for (2R)-2-(5-bromo-2-fluorophenyl)-1-(5-ethyl-4-methylimidazol-1-yl)propan-2-amine?
The canonical SMILES for (2R)-2-(5-bromo-2-fluorophenyl)-1-(5-ethyl-4-methylimidazol-1-yl)propan-2-amine is CCc1c(C)ncn1C[C@](C)(N)c1cc(Br)ccc1F.
What is the InChIKey of (2R)-2-(5-bromo-2-fluorophenyl)-1-(5-ethyl-4-methylimidazol-1-yl)propan-2-amine?
The InChIKey is ZRCORBCCQCBXEG-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H19BrFN3/c1-4-14-10(2)19-9-20(14)8-15(3,18)12-7-11(16)5-6-13(12)17/h5-7,9H,4,8,18H2,1-3H3/t15-/m0/s1.
What are the key properties of (2R)-2-(5-bromo-2-fluorophenyl)-1-(5-ethyl-4-methylimidazol-1-yl)propan-2-amine?
(2R)-2-(5-bromo-2-fluorophenyl)-1-(5-ethyl-4-methylimidazol-1-yl)propan-2-amine has a molecular weight of 340.24 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(5-bromo-2-fluorophenyl)-1-(5-ethyl-4-methylimidazol-1-yl)propan-2-amine is sourced from PubChem (CID 121298024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).