2-[(5-bromo-2-fluorophenyl)methyl]-2-methylbutan-1-amine

C12H17BrFN — CID 62725310

IUPAC2-[(5-bromo-2-fluorophenyl)methyl]-2-methylbutan-1-amine
SMILESCCC(C)(CN)Cc1cc(Br)ccc1F
InChIInChI=1S/C12H17BrFN/c1-3-12(2,8-15)7-9-6-10(13)4-5-11(9)14/h4-6H,3,7-8,15H2,1-2H3
InChIKeyBGKKJZQJVQMDAC-UHFFFAOYSA-N
MW274.18 g/mol
LogP3.51
Rot. Bonds4

About 2-[(5-bromo-2-fluorophenyl)methyl]-2-methylbutan-1-amine

2-[(5-bromo-2-fluorophenyl)methyl]-2-methylbutan-1-amine (PubChem CID 62725310) has the molecular formula C12H17BrFN and a molecular weight of 274.18 g/mol. Its IUPAC name is 2-[(5-bromo-2-fluorophenyl)methyl]-2-methylbutan-1-amine.

Molecular Properties

Compound Name2-[(5-bromo-2-fluorophenyl)methyl]-2-methylbutan-1-amine
PubChem CID62725310
Molecular FormulaC12H17BrFN
Molecular Weight274.18 g/mol
Exact Mass273.05
IUPAC Name2-[(5-bromo-2-fluorophenyl)methyl]-2-methylbutan-1-amine
SMILESCCC(C)(CN)Cc1cc(Br)ccc1F
InChIInChI=1S/C12H17BrFN/c1-3-12(2,8-15)7-9-6-10(13)4-5-11(9)14/h4-6H,3,7-8,15H2,1-2H3
InChIKeyBGKKJZQJVQMDAC-UHFFFAOYSA-N
XLogP3.51
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.18
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(2,5-difluorophenyl)methyl]-2-methylbutan-1-amine
CID 62724715
2-[(5-bromo-2-fluorophenyl)methyl]-N,2-dimethylbutan-1-amine
CID 62726256
1-(5-bromo-2-fluorophenyl)-2-methylpropan-2-amine
CID 62622009
4-bromo-2-[3-bromo-2-(bromomethyl)-2-methylpropyl]-1-fluorobenzene
CID 79453032
2-[(5-bromo-2-methoxyphenyl)methyl]-2-methylbutan-1-amine
CID 62725313
2-[(2-fluorophenyl)methyl]-2-methylbutan-1-amine
CID 62725307
2-[(4-bromo-2-fluorophenyl)methyl]-2-methylpentan-1-amine
CID 62723295
1-(5-bromo-2-fluorophenyl)-2-methylpentan-2-amine
CID 65020142
2-[(5-bromo-2-fluorophenyl)methyl]-N,2-dimethylpentan-1-amine
CID 62723407
3-N-[2-(5-bromo-2-fluorophenyl)ethyl]-3-N,3-dimethylbutane-1,3-diamine
CID 115135034
1-(5-bromo-2-fluorophenyl)-2-(2-fluorophenyl)butan-2-amine
CID 115996357
2-[(5-bromo-2-fluorophenyl)methyl]-N-tert-butyl-2-ethylbutan-1-amine
CID 63507943

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-2-fluorophenyl)methyl]-2-methylbutan-1-amine?
The IUPAC name of 2-[(5-bromo-2-fluorophenyl)methyl]-2-methylbutan-1-amine (CID 62725310) is 2-[(5-bromo-2-fluorophenyl)methyl]-2-methylbutan-1-amine.
What is the SMILES notation for 2-[(5-bromo-2-fluorophenyl)methyl]-2-methylbutan-1-amine?
The canonical SMILES for 2-[(5-bromo-2-fluorophenyl)methyl]-2-methylbutan-1-amine is CCC(C)(CN)Cc1cc(Br)ccc1F.
What is the InChIKey of 2-[(5-bromo-2-fluorophenyl)methyl]-2-methylbutan-1-amine?
The InChIKey is BGKKJZQJVQMDAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrFN/c1-3-12(2,8-15)7-9-6-10(13)4-5-11(9)14/h4-6H,3,7-8,15H2,1-2H3.
What are the key properties of 2-[(5-bromo-2-fluorophenyl)methyl]-2-methylbutan-1-amine?
2-[(5-bromo-2-fluorophenyl)methyl]-2-methylbutan-1-amine has a molecular weight of 274.18 g/mol, XLogP of 3.51, 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)methyl]-2-methylbutan-1-amine is sourced from PubChem (CID 62725310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).