N-[[3-[(5-bromo-2-fluorophenyl)methyl]-2-methylimidazol-4-yl]methyl]propan-1-amine

C15H19BrFN3 — CID 65173041

IUPACN-[[3-[(5-bromo-2-fluorophenyl)methyl]-2-methylimidazol-4-yl]methyl]propan-1-amine
SMILESCCCNCc1cnc(C)n1Cc1cc(Br)ccc1F
InChIInChI=1S/C15H19BrFN3/c1-3-6-18-8-14-9-19-11(2)20(14)10-12-7-13(16)4-5-15(12)17/h4-5,7,9,18H,3,6,8,10H2,1-2H3
InChIKeyNLLBHHJLKLJOAA-UHFFFAOYSA-N
MW340.24 g/mol
LogP3.64
Rot. Bonds6

About N-[[3-[(5-bromo-2-fluorophenyl)methyl]-2-methylimidazol-4-yl]methyl]propan-1-amine

N-[[3-[(5-bromo-2-fluorophenyl)methyl]-2-methylimidazol-4-yl]methyl]propan-1-amine (PubChem CID 65173041) has the molecular formula C15H19BrFN3 and a molecular weight of 340.24 g/mol. Its IUPAC name is N-[[3-[(5-bromo-2-fluorophenyl)methyl]-2-methylimidazol-4-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[3-[(5-bromo-2-fluorophenyl)methyl]-2-methylimidazol-4-yl]methyl]propan-1-amine
PubChem CID65173041
Molecular FormulaC15H19BrFN3
Molecular Weight340.24 g/mol
Exact Mass339.07
IUPAC NameN-[[3-[(5-bromo-2-fluorophenyl)methyl]-2-methylimidazol-4-yl]methyl]propan-1-amine
SMILESCCCNCc1cnc(C)n1Cc1cc(Br)ccc1F
InChIInChI=1S/C15H19BrFN3/c1-3-6-18-8-14-9-19-11(2)20(14)10-12-7-13(16)4-5-15(12)17/h4-5,7,9,18H,3,6,8,10H2,1-2H3
InChIKeyNLLBHHJLKLJOAA-UHFFFAOYSA-N
XLogP3.64
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.24
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[3-[(5-bromo-2-fluorophenyl)methyl]-2-methylimidazol-4-yl]methyl]-2-methylpropan-2-amine
CID 65172284
N-[[3-[(5-bromo-2-pyridinyl)methyl]-2-methylimidazol-4-yl]methyl]propan-1-amine
CID 104811802
N-[[3-[(2-bromo-4-fluorophenyl)methyl]-2-methylimidazol-4-yl]methyl]ethanamine
CID 65172669
3-[(5-bromo-2-fluorophenyl)methyl]-5-iodo-2-methylpyrimidin-4-one
CID 66340919
methyl 3-[(5-bromo-2-fluorophenyl)methyl]-2-methylimidazole-4-carboxylate
CID 65172736
N-[[3-[(3,4-difluorophenyl)methyl]-2-methylimidazol-4-yl]methyl]ethanamine
CID 82924721
N-[[3-[(2-chloro-4-fluorophenyl)methyl]-2-methylimidazol-4-yl]methyl]ethanamine
CID 65172412
N-[[3-[(3-bromo-2,6-difluorophenyl)methyl]-2-methylimidazol-4-yl]methyl]ethanamine
CID 106272907
N-[[3-[(5-chloro-2-fluorophenyl)methyl]-2-methylimidazol-4-yl]methyl]cyclopropanamine
CID 103050367
1-[3-[(2-fluorophenyl)methyl]-2-methylimidazol-4-yl]-N-methylmethanamine
CID 65173130
[3-[(5-chloro-2-fluorophenyl)methyl]-2-methylimidazol-4-yl]methanamine
CID 103050362
N-[[3-[(2,6-difluorophenyl)methyl]-2-methylimidazol-4-yl]methyl]ethanamine
CID 114934374

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(5-bromo-2-fluorophenyl)methyl]-2-methylimidazol-4-yl]methyl]propan-1-amine?
The IUPAC name of N-[[3-[(5-bromo-2-fluorophenyl)methyl]-2-methylimidazol-4-yl]methyl]propan-1-amine (CID 65173041) is N-[[3-[(5-bromo-2-fluorophenyl)methyl]-2-methylimidazol-4-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[3-[(5-bromo-2-fluorophenyl)methyl]-2-methylimidazol-4-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[3-[(5-bromo-2-fluorophenyl)methyl]-2-methylimidazol-4-yl]methyl]propan-1-amine is CCCNCc1cnc(C)n1Cc1cc(Br)ccc1F.
What is the InChIKey of N-[[3-[(5-bromo-2-fluorophenyl)methyl]-2-methylimidazol-4-yl]methyl]propan-1-amine?
The InChIKey is NLLBHHJLKLJOAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrFN3/c1-3-6-18-8-14-9-19-11(2)20(14)10-12-7-13(16)4-5-15(12)17/h4-5,7,9,18H,3,6,8,10H2,1-2H3.
What are the key properties of N-[[3-[(5-bromo-2-fluorophenyl)methyl]-2-methylimidazol-4-yl]methyl]propan-1-amine?
N-[[3-[(5-bromo-2-fluorophenyl)methyl]-2-methylimidazol-4-yl]methyl]propan-1-amine has a molecular weight of 340.24 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(5-bromo-2-fluorophenyl)methyl]-2-methylimidazol-4-yl]methyl]propan-1-amine is sourced from PubChem (CID 65173041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).