2-[(5S)-2-(2-fluorophenyl)-4,5-dihydro-1H-imidazol-5-yl]ethanamine;hydrobromide

C11H15BrFN3 — CID 53320245

IUPAC2-[(5S)-2-(2-fluorophenyl)-4,5-dihydro-1H-imidazol-5-yl]ethanamine;hydrobromide
SMILESBr.NCC[C@H]1CN=C(c2ccccc2F)N1
InChIInChI=1S/C11H14FN3.BrH/c12-10-4-2-1-3-9(10)11-14-7-8(15-11)5-6-13;/h1-4,8H,5-7,13H2,(H,14,15);1H/t8-;/m0./s1
InChIKeyUOBWBCOLYXBTNQ-QRPNPIFTSA-N
MW288.16 g/mol
LogP1.47
Rot. Bonds3

About 2-[(5S)-2-(2-fluorophenyl)-4,5-dihydro-1H-imidazol-5-yl]ethanamine;hydrobromide

2-[(5S)-2-(2-fluorophenyl)-4,5-dihydro-1H-imidazol-5-yl]ethanamine;hydrobromide (PubChem CID 53320245) has the molecular formula C11H15BrFN3 and a molecular weight of 288.16 g/mol. Its IUPAC name is 2-[(5S)-2-(2-fluorophenyl)-4,5-dihydro-1H-imidazol-5-yl]ethanamine;hydrobromide.

Molecular Properties

Compound Name2-[(5S)-2-(2-fluorophenyl)-4,5-dihydro-1H-imidazol-5-yl]ethanamine;hydrobromide
PubChem CID53320245
Molecular FormulaC11H15BrFN3
Molecular Weight288.16 g/mol
Exact Mass287.04
IUPAC Name2-[(5S)-2-(2-fluorophenyl)-4,5-dihydro-1H-imidazol-5-yl]ethanamine;hydrobromide
SMILESBr.NCC[C@H]1CN=C(c2ccccc2F)N1
InChIInChI=1S/C11H14FN3.BrH/c12-10-4-2-1-3-9(10)11-14-7-8(15-11)5-6-13;/h1-4,8H,5-7,13H2,(H,14,15);1H/t8-;/m0./s1
InChIKeyUOBWBCOLYXBTNQ-QRPNPIFTSA-N
XLogP1.47
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.16
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(5S)-2-(2-fluorophenyl)-4,5-dihydro-1H-imidazol-5-yl]ethanamine;hydrobromide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(5S)-2-(2-fluorophenyl)-4,5-dihydro-1H-imidazol-5-yl]ethanamine;hydrobromide?
The IUPAC name of 2-[(5S)-2-(2-fluorophenyl)-4,5-dihydro-1H-imidazol-5-yl]ethanamine;hydrobromide (CID 53320245) is 2-[(5S)-2-(2-fluorophenyl)-4,5-dihydro-1H-imidazol-5-yl]ethanamine;hydrobromide.
What is the SMILES notation for 2-[(5S)-2-(2-fluorophenyl)-4,5-dihydro-1H-imidazol-5-yl]ethanamine;hydrobromide?
The canonical SMILES for 2-[(5S)-2-(2-fluorophenyl)-4,5-dihydro-1H-imidazol-5-yl]ethanamine;hydrobromide is Br.NCC[C@H]1CN=C(c2ccccc2F)N1.
What is the InChIKey of 2-[(5S)-2-(2-fluorophenyl)-4,5-dihydro-1H-imidazol-5-yl]ethanamine;hydrobromide?
The InChIKey is UOBWBCOLYXBTNQ-QRPNPIFTSA-N. The full InChI is InChI=1S/C11H14FN3.BrH/c12-10-4-2-1-3-9(10)11-14-7-8(15-11)5-6-13;/h1-4,8H,5-7,13H2,(H,14,15);1H/t8-;/m0./s1.
What are the key properties of 2-[(5S)-2-(2-fluorophenyl)-4,5-dihydro-1H-imidazol-5-yl]ethanamine;hydrobromide?
2-[(5S)-2-(2-fluorophenyl)-4,5-dihydro-1H-imidazol-5-yl]ethanamine;hydrobromide has a molecular weight of 288.16 g/mol, XLogP of 1.47, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5S)-2-(2-fluorophenyl)-4,5-dihydro-1H-imidazol-5-yl]ethanamine;hydrobromide is sourced from PubChem (CID 53320245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).