2-[(2-bromophenyl)methyl]-2-fluoropentan-1-amine

C12H17BrFN — CID 112567710

IUPAC2-[(2-bromophenyl)methyl]-2-fluoropentan-1-amine
SMILESCCCC(F)(CN)Cc1ccccc1Br
InChIInChI=1S/C12H17BrFN/c1-2-7-12(14,9-15)8-10-5-3-4-6-11(10)13/h3-6H,2,7-9,15H2,1H3
InChIKeyCCRUXQNJZFJXNA-UHFFFAOYSA-N
MW274.18 g/mol
LogP3.46
Rot. Bonds5

About 2-[(2-bromophenyl)methyl]-2-fluoropentan-1-amine

2-[(2-bromophenyl)methyl]-2-fluoropentan-1-amine (PubChem CID 112567710) has the molecular formula C12H17BrFN and a molecular weight of 274.18 g/mol. Its IUPAC name is 2-[(2-bromophenyl)methyl]-2-fluoropentan-1-amine.

Molecular Properties

Compound Name2-[(2-bromophenyl)methyl]-2-fluoropentan-1-amine
PubChem CID112567710
Molecular FormulaC12H17BrFN
Molecular Weight274.18 g/mol
Exact Mass273.05
IUPAC Name2-[(2-bromophenyl)methyl]-2-fluoropentan-1-amine
SMILESCCCC(F)(CN)Cc1ccccc1Br
InChIInChI=1S/C12H17BrFN/c1-2-7-12(14,9-15)8-10-5-3-4-6-11(10)13/h3-6H,2,7-9,15H2,1H3
InChIKeyCCRUXQNJZFJXNA-UHFFFAOYSA-N
XLogP3.46
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.18
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(2-bromo-3-fluorophenyl)methyl]-2-fluoropentan-1-amine
CID 112567783
1-(2-bromophenyl)-2-methylpentan-2-ol
CID 80557375
1-bromo-2-(2,2-difluoropropyl)benzene
CID 84698254
2-[(2-bromophenyl)methyl]-3,3-difluoro-2-methylpropan-1-amine
CID 84730326
[1-(2-bromophenyl)-2-methylpropan-2-yl]azanium
CID 156884808
2-[(1-ethylindazol-3-yl)methyl]-2-fluoropentan-1-amine
CID 112567902
2-fluoro-2-(pyridin-3-ylmethyl)pentan-1-amine
CID 104737462
2-fluoro-5-phenyl-2-propylpentan-1-amine
CID 112567709
2-[(2-bromophenyl)methyl]-2-ethoxycarbonylpentanoic acid
CID 103974175
1-(2-bromophenyl)-3-(3-fluorophenyl)-2-methylpropan-2-amine
CID 114834058
2-(aminomethyl)-3-(2-bromophenyl)-2-(3,5-difluorophenyl)propan-1-ol
CID 106506992
1-bromo-2-(3-bromo-2,2-dimethylpropyl)benzene
CID 66049057

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromophenyl)methyl]-2-fluoropentan-1-amine?
The IUPAC name of 2-[(2-bromophenyl)methyl]-2-fluoropentan-1-amine (CID 112567710) is 2-[(2-bromophenyl)methyl]-2-fluoropentan-1-amine.
What is the SMILES notation for 2-[(2-bromophenyl)methyl]-2-fluoropentan-1-amine?
The canonical SMILES for 2-[(2-bromophenyl)methyl]-2-fluoropentan-1-amine is CCCC(F)(CN)Cc1ccccc1Br.
What is the InChIKey of 2-[(2-bromophenyl)methyl]-2-fluoropentan-1-amine?
The InChIKey is CCRUXQNJZFJXNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrFN/c1-2-7-12(14,9-15)8-10-5-3-4-6-11(10)13/h3-6H,2,7-9,15H2,1H3.
What are the key properties of 2-[(2-bromophenyl)methyl]-2-fluoropentan-1-amine?
2-[(2-bromophenyl)methyl]-2-fluoropentan-1-amine has a molecular weight of 274.18 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromophenyl)methyl]-2-fluoropentan-1-amine is sourced from PubChem (CID 112567710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).