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

C12H17BrFN — CID 62530745

IUPAC2-[(2-bromo-5-fluorophenyl)methyl]-N-methylbutan-1-amine
SMILESCCC(CNC)Cc1cc(F)ccc1Br
InChIInChI=1S/C12H17BrFN/c1-3-9(8-15-2)6-10-7-11(14)4-5-12(10)13/h4-5,7,9,15H,3,6,8H2,1-2H3
InChIKeyUVEWHNICZNDPHG-UHFFFAOYSA-N
MW274.18 g/mol
LogP3.38
Rot. Bonds5

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

2-[(2-bromo-5-fluorophenyl)methyl]-N-methylbutan-1-amine (PubChem CID 62530745) has the molecular formula C12H17BrFN and a molecular weight of 274.18 g/mol. Its IUPAC name is 2-[(2-bromo-5-fluorophenyl)methyl]-N-methylbutan-1-amine.

Molecular Properties

Compound Name2-[(2-bromo-5-fluorophenyl)methyl]-N-methylbutan-1-amine
PubChem CID62530745
Molecular FormulaC12H17BrFN
Molecular Weight274.18 g/mol
Exact Mass273.05
IUPAC Name2-[(2-bromo-5-fluorophenyl)methyl]-N-methylbutan-1-amine
SMILESCCC(CNC)Cc1cc(F)ccc1Br
InChIInChI=1S/C12H17BrFN/c1-3-9(8-15-2)6-10-7-11(14)4-5-12(10)13/h4-5,7,9,15H,3,6,8H2,1-2H3
InChIKeyUVEWHNICZNDPHG-UHFFFAOYSA-N
XLogP3.38
TPSA12.03 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 ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(2-bromo-5-fluorophenyl)methyl]-3-(4-bromophenyl)-N-methylpropan-1-amine
CID 63521897
1-(2-bromo-5-fluorophenyl)-N,4-dimethylhexan-2-amine
CID 115843650
3-(2-bromo-5-fluorophenyl)-N-methyl-2-(3-methylphenyl)propan-1-amine
CID 79416745
1-(2-bromo-5-fluorophenyl)-N-methylmethanamine;hydrochloride
CID 86811714
2-[(5-fluoro-2-methylphenyl)methyl]-N-methylpentan-1-amine
CID 105374860
1-(2-bromo-5-fluorophenyl)-N,3,3-trimethylbutan-2-amine
CID 62599843
(2S)-1-(2-bromo-5-fluorophenyl)propan-2-amine
CID 71270516
1-bromo-2-[2-(bromomethyl)-3-(2-bromophenyl)propyl]-4-fluorobenzene
CID 66041556
3-(2-bromo-5-fluorophenyl)-N-ethyl-2-(3-methylphenyl)propan-1-amine
CID 79422309
2-[(2,5-difluorophenyl)methyl]-3-(4-fluorophenyl)-N-methylpropan-1-amine
CID 62515213
2-[(3-bromophenyl)methyl]-3-(2,5-difluorophenyl)-N-methylpropan-1-amine
CID 62516635
1-(2-bromo-5-fluorophenyl)pentan-2-amine
CID 62601078

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromo-5-fluorophenyl)methyl]-N-methylbutan-1-amine?
The IUPAC name of 2-[(2-bromo-5-fluorophenyl)methyl]-N-methylbutan-1-amine (CID 62530745) is 2-[(2-bromo-5-fluorophenyl)methyl]-N-methylbutan-1-amine.
What is the SMILES notation for 2-[(2-bromo-5-fluorophenyl)methyl]-N-methylbutan-1-amine?
The canonical SMILES for 2-[(2-bromo-5-fluorophenyl)methyl]-N-methylbutan-1-amine is CCC(CNC)Cc1cc(F)ccc1Br.
What is the InChIKey of 2-[(2-bromo-5-fluorophenyl)methyl]-N-methylbutan-1-amine?
The InChIKey is UVEWHNICZNDPHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrFN/c1-3-9(8-15-2)6-10-7-11(14)4-5-12(10)13/h4-5,7,9,15H,3,6,8H2,1-2H3.
What are the key properties of 2-[(2-bromo-5-fluorophenyl)methyl]-N-methylbutan-1-amine?
2-[(2-bromo-5-fluorophenyl)methyl]-N-methylbutan-1-amine has a molecular weight of 274.18 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromo-5-fluorophenyl)methyl]-N-methylbutan-1-amine is sourced from PubChem (CID 62530745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).