2-(5-bromo-2-fluorophenyl)-N-(bromomethyl)-2-methylpropan-1-amine

C11H14Br2FN — CID 115262615

IUPAC2-(5-bromo-2-fluorophenyl)-N-(bromomethyl)-2-methylpropan-1-amine
SMILESCC(C)(CNCBr)c1cc(Br)ccc1F
InChIInChI=1S/C11H14Br2FN/c1-11(2,6-15-7-12)9-5-8(13)3-4-10(9)14/h3-5,15H,6-7H2,1-2H3
InChIKeyIQLLOFGXTHNAJB-UHFFFAOYSA-N
MW339.05 g/mol
LogP3.81
Rot. Bonds4

About 2-(5-bromo-2-fluorophenyl)-N-(bromomethyl)-2-methylpropan-1-amine

2-(5-bromo-2-fluorophenyl)-N-(bromomethyl)-2-methylpropan-1-amine (PubChem CID 115262615) has the molecular formula C11H14Br2FN and a molecular weight of 339.05 g/mol. Its IUPAC name is 2-(5-bromo-2-fluorophenyl)-N-(bromomethyl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name2-(5-bromo-2-fluorophenyl)-N-(bromomethyl)-2-methylpropan-1-amine
PubChem CID115262615
Molecular FormulaC11H14Br2FN
Molecular Weight339.05 g/mol
Exact Mass336.95
IUPAC Name2-(5-bromo-2-fluorophenyl)-N-(bromomethyl)-2-methylpropan-1-amine
SMILESCC(C)(CNCBr)c1cc(Br)ccc1F
InChIInChI=1S/C11H14Br2FN/c1-11(2,6-15-7-12)9-5-8(13)3-4-10(9)14/h3-5,15H,6-7H2,1-2H3
InChIKeyIQLLOFGXTHNAJB-UHFFFAOYSA-N
XLogP3.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.05
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

1-[[2-(5-bromo-2-fluorophenyl)-2-methylpropyl]amino]-2-methylpropan-2-ol
CID 115137230
2-[[2-(5-bromo-2-fluorophenyl)-2-methylpropyl]amino]acetaldehyde
CID 115223587
N'-[2-(5-bromo-2-fluorophenyl)-2-methylpropyl]propane-1,3-diamine
CID 115197606
1-[[2-(5-bromo-2-fluorophenyl)-2-methylpropyl]amino]propan-2-one
CID 115235320
3-N-[2-(5-bromo-2-fluorophenyl)-2-methylpropyl]propane-1,2,3-triamine
CID 115120210
N'-[2-(5-bromo-2-fluorophenyl)-2-methylpropyl]-2-methylbutane-1,4-diamine
CID 115203524
2-[[2-(5-bromo-2-fluorophenyl)-2-methylpropyl]amino]-2-methylpropanenitrile
CID 115129813
N-(bromomethyl)-2-(3,4-difluorophenyl)-2-methylpropan-1-amine
CID 115262544
4-bromo-2-(4-bromo-2-methylpentan-2-yl)-1-fluorobenzene
CID 79739124
N-(chloromethyl)-2-(2,5-difluorophenyl)-2-methylpropan-1-amine
CID 115263650
2-(5-bromo-2-methylphenyl)-N-(chloromethyl)-2-methylpropan-1-amine
CID 115263701
4-(5-bromo-2-fluorophenyl)-N-ethyl-4-methylpentan-2-amine
CID 79739119

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-fluorophenyl)-N-(bromomethyl)-2-methylpropan-1-amine?
The IUPAC name of 2-(5-bromo-2-fluorophenyl)-N-(bromomethyl)-2-methylpropan-1-amine (CID 115262615) is 2-(5-bromo-2-fluorophenyl)-N-(bromomethyl)-2-methylpropan-1-amine.
What is the SMILES notation for 2-(5-bromo-2-fluorophenyl)-N-(bromomethyl)-2-methylpropan-1-amine?
The canonical SMILES for 2-(5-bromo-2-fluorophenyl)-N-(bromomethyl)-2-methylpropan-1-amine is CC(C)(CNCBr)c1cc(Br)ccc1F.
What is the InChIKey of 2-(5-bromo-2-fluorophenyl)-N-(bromomethyl)-2-methylpropan-1-amine?
The InChIKey is IQLLOFGXTHNAJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Br2FN/c1-11(2,6-15-7-12)9-5-8(13)3-4-10(9)14/h3-5,15H,6-7H2,1-2H3.
What are the key properties of 2-(5-bromo-2-fluorophenyl)-N-(bromomethyl)-2-methylpropan-1-amine?
2-(5-bromo-2-fluorophenyl)-N-(bromomethyl)-2-methylpropan-1-amine has a molecular weight of 339.05 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-fluorophenyl)-N-(bromomethyl)-2-methylpropan-1-amine is sourced from PubChem (CID 115262615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).