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

C13H19BrFN — CID 62726256

IUPAC2-[(5-bromo-2-fluorophenyl)methyl]-N,2-dimethylbutan-1-amine
SMILESCCC(C)(CNC)Cc1cc(Br)ccc1F
InChIInChI=1S/C13H19BrFN/c1-4-13(2,9-16-3)8-10-7-11(14)5-6-12(10)15/h5-7,16H,4,8-9H2,1-3H3
InChIKeyBLLWLSVRZORRDW-UHFFFAOYSA-N
MW288.20 g/mol
LogP3.77
Rot. Bonds5

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

2-[(5-bromo-2-fluorophenyl)methyl]-N,2-dimethylbutan-1-amine (PubChem CID 62726256) has the molecular formula C13H19BrFN and a molecular weight of 288.20 g/mol. Its IUPAC name is 2-[(5-bromo-2-fluorophenyl)methyl]-N,2-dimethylbutan-1-amine.

Molecular Properties

Compound Name2-[(5-bromo-2-fluorophenyl)methyl]-N,2-dimethylbutan-1-amine
PubChem CID62726256
Molecular FormulaC13H19BrFN
Molecular Weight288.20 g/mol
Exact Mass287.07
IUPAC Name2-[(5-bromo-2-fluorophenyl)methyl]-N,2-dimethylbutan-1-amine
SMILESCCC(C)(CNC)Cc1cc(Br)ccc1F
InChIInChI=1S/C13H19BrFN/c1-4-13(2,9-16-3)8-10-7-11(14)5-6-12(10)15/h5-7,16H,4,8-9H2,1-3H3
InChIKeyBLLWLSVRZORRDW-UHFFFAOYSA-N
XLogP3.77
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.20
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(5-bromo-2-fluorophenyl)methyl]-N,2-dimethylpentan-1-amine
CID 62723407
2-[(5-bromo-2-fluorophenyl)methyl]-2-methylbutan-1-amine
CID 62725310
4-bromo-2-[3-bromo-2-(bromomethyl)-2-methylpropyl]-1-fluorobenzene
CID 79453032
2-[(3-bromo-4-fluorophenyl)methyl]-N,2-dimethylbutan-1-amine
CID 62723478
1-(5-bromo-2-fluorophenyl)-2-methylpropan-2-amine
CID 62622009
2-[(5-bromo-2-fluorophenyl)methyl]-N-tert-butyl-2-ethylbutan-1-amine
CID 63507943
1-(5-bromo-2-fluorophenyl)-3-(ethylamino)-2-methylpropan-2-ol
CID 66036998
2-[(2-chloro-4-fluorophenyl)methyl]-N,2-dimethylbutan-1-amine
CID 62725874
2-N-[2-(5-bromo-2-fluorophenyl)ethyl]-1-N,2-N,2-trimethylpropane-1,2-diamine
CID 115133025
1-(5-bromo-2-fluorophenyl)-2-methylpentan-2-amine
CID 65020142
4-bromo-2-ethyl-1-fluorobenzene
CID 22641025
1-N-[(5-bromo-2-fluorophenyl)methyl]-2-N,2-dimethylpropane-1,2-diamine
CID 115222290

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-2-fluorophenyl)methyl]-N,2-dimethylbutan-1-amine?
The IUPAC name of 2-[(5-bromo-2-fluorophenyl)methyl]-N,2-dimethylbutan-1-amine (CID 62726256) is 2-[(5-bromo-2-fluorophenyl)methyl]-N,2-dimethylbutan-1-amine.
What is the SMILES notation for 2-[(5-bromo-2-fluorophenyl)methyl]-N,2-dimethylbutan-1-amine?
The canonical SMILES for 2-[(5-bromo-2-fluorophenyl)methyl]-N,2-dimethylbutan-1-amine is CCC(C)(CNC)Cc1cc(Br)ccc1F.
What is the InChIKey of 2-[(5-bromo-2-fluorophenyl)methyl]-N,2-dimethylbutan-1-amine?
The InChIKey is BLLWLSVRZORRDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrFN/c1-4-13(2,9-16-3)8-10-7-11(14)5-6-12(10)15/h5-7,16H,4,8-9H2,1-3H3.
What are the key properties of 2-[(5-bromo-2-fluorophenyl)methyl]-N,2-dimethylbutan-1-amine?
2-[(5-bromo-2-fluorophenyl)methyl]-N,2-dimethylbutan-1-amine has a molecular weight of 288.20 g/mol, XLogP of 3.77, 5 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]-N,2-dimethylbutan-1-amine is sourced from PubChem (CID 62726256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).