2-[(2-bromo-3-fluorophenyl)methyl]-2-fluoropentan-1-amine

C12H16BrF2N — CID 112567783

IUPAC2-[(2-bromo-3-fluorophenyl)methyl]-2-fluoropentan-1-amine
SMILESCCCC(F)(CN)Cc1cccc(F)c1Br
InChIInChI=1S/C12H16BrF2N/c1-2-6-12(15,8-16)7-9-4-3-5-10(14)11(9)13/h3-5H,2,6-8,16H2,1H3
InChIKeyZCDRVCYKLJSKRK-UHFFFAOYSA-N
MW292.17 g/mol
LogP3.60
Rot. Bonds5

About 2-[(2-bromo-3-fluorophenyl)methyl]-2-fluoropentan-1-amine

2-[(2-bromo-3-fluorophenyl)methyl]-2-fluoropentan-1-amine (PubChem CID 112567783) has the molecular formula C12H16BrF2N and a molecular weight of 292.17 g/mol. Its IUPAC name is 2-[(2-bromo-3-fluorophenyl)methyl]-2-fluoropentan-1-amine.

Molecular Properties

Compound Name2-[(2-bromo-3-fluorophenyl)methyl]-2-fluoropentan-1-amine
PubChem CID112567783
Molecular FormulaC12H16BrF2N
Molecular Weight292.17 g/mol
Exact Mass291.04
IUPAC Name2-[(2-bromo-3-fluorophenyl)methyl]-2-fluoropentan-1-amine
SMILESCCCC(F)(CN)Cc1cccc(F)c1Br
InChIInChI=1S/C12H16BrF2N/c1-2-6-12(15,8-16)7-9-4-3-5-10(14)11(9)13/h3-5H,2,6-8,16H2,1H3
InChIKeyZCDRVCYKLJSKRK-UHFFFAOYSA-N
XLogP3.60
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.17
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(2-bromophenyl)methyl]-2-fluoropentan-1-amine
CID 112567710
1-(2-bromo-3-fluorophenyl)-3-(3-fluorophenyl)-2-methylpropan-2-amine
CID 114833945
2-(aminomethyl)-2-[(2-bromo-3-fluorophenyl)methyl]-3-methylbutan-1-ol
CID 106507545
2-bromo-1-fluoro-3-(2-methylbutyl)benzene
CID 131992964
1-(2-bromo-3-fluorophenyl)-2-methylhex-5-en-2-ol
CID 104656402
2-(2-chloro-6-fluorophenyl)-2-propylpentan-1-amine
CID 63515341
2-[(2-bromo-3-fluorophenyl)methyl]-2,3-dimethylbutanoic acid
CID 83149290
N'-[(2-bromo-3-fluorophenyl)methyl]-N'-methylpropane-1,3-diamine
CID 115319274
2-[(3-bromo-4-fluorophenyl)methyl]-2-fluorobutan-1-amine
CID 112565924
N-[(2-bromo-3-fluorophenyl)methyl]-N,2-dimethylpropan-2-amine
CID 131067793
2-[(1-ethylindazol-3-yl)methyl]-2-fluoropentan-1-amine
CID 112567902
1-(2-bromo-3-fluorophenyl)-3-methylheptan-2-amine
CID 114246520

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromo-3-fluorophenyl)methyl]-2-fluoropentan-1-amine?
The IUPAC name of 2-[(2-bromo-3-fluorophenyl)methyl]-2-fluoropentan-1-amine (CID 112567783) is 2-[(2-bromo-3-fluorophenyl)methyl]-2-fluoropentan-1-amine.
What is the SMILES notation for 2-[(2-bromo-3-fluorophenyl)methyl]-2-fluoropentan-1-amine?
The canonical SMILES for 2-[(2-bromo-3-fluorophenyl)methyl]-2-fluoropentan-1-amine is CCCC(F)(CN)Cc1cccc(F)c1Br.
What is the InChIKey of 2-[(2-bromo-3-fluorophenyl)methyl]-2-fluoropentan-1-amine?
The InChIKey is ZCDRVCYKLJSKRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrF2N/c1-2-6-12(15,8-16)7-9-4-3-5-10(14)11(9)13/h3-5H,2,6-8,16H2,1H3.
What are the key properties of 2-[(2-bromo-3-fluorophenyl)methyl]-2-fluoropentan-1-amine?
2-[(2-bromo-3-fluorophenyl)methyl]-2-fluoropentan-1-amine has a molecular weight of 292.17 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromo-3-fluorophenyl)methyl]-2-fluoropentan-1-amine is sourced from PubChem (CID 112567783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).