1-(2-bromo-5-fluorophenyl)-N,3,3-trimethylbutan-2-amine

C13H19BrFN — CID 62599843

IUPAC1-(2-bromo-5-fluorophenyl)-N,3,3-trimethylbutan-2-amine
SMILESCNC(Cc1cc(F)ccc1Br)C(C)(C)C
InChIInChI=1S/C13H19BrFN/c1-13(2,3)12(16-4)8-9-7-10(15)5-6-11(9)14/h5-7,12,16H,8H2,1-4H3
InChIKeyLEGUHGCWGXLUMK-UHFFFAOYSA-N
MW288.20 g/mol
LogP3.76
Rot. Bonds3

About 1-(2-bromo-5-fluorophenyl)-N,3,3-trimethylbutan-2-amine

1-(2-bromo-5-fluorophenyl)-N,3,3-trimethylbutan-2-amine (PubChem CID 62599843) has the molecular formula C13H19BrFN and a molecular weight of 288.20 g/mol. Its IUPAC name is 1-(2-bromo-5-fluorophenyl)-N,3,3-trimethylbutan-2-amine.

Molecular Properties

Compound Name1-(2-bromo-5-fluorophenyl)-N,3,3-trimethylbutan-2-amine
PubChem CID62599843
Molecular FormulaC13H19BrFN
Molecular Weight288.20 g/mol
Exact Mass287.07
IUPAC Name1-(2-bromo-5-fluorophenyl)-N,3,3-trimethylbutan-2-amine
SMILESCNC(Cc1cc(F)ccc1Br)C(C)(C)C
InChIInChI=1S/C13H19BrFN/c1-13(2,3)12(16-4)8-9-7-10(15)5-6-11(9)14/h5-7,12,16H,8H2,1-4H3
InChIKeyLEGUHGCWGXLUMK-UHFFFAOYSA-N
XLogP3.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.20
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-bromo-5-fluorophenyl)-N,5-dimethylhexan-2-amine
CID 62603162
1-(4-bromo-2-fluorophenyl)-N,3,3-trimethylbutan-2-amine
CID 62600037
[1-(2-bromo-4-fluorophenyl)-3,3-dimethylbutan-2-yl]hydrazine
CID 105202997
2-(2-bromo-5-fluorophenyl)-1-(3,5-dibromophenyl)-N-methylethanamine
CID 107974495
1-(2-bromo-5-fluorophenyl)-2-N-ethyl-3-N,3-N,3-trimethylpentane-2,3-diamine
CID 79063287
1-(2-bromo-5-fluorophenyl)-3-ethoxy-3-methyl-N-propylbutan-2-amine
CID 116727031
2-(2-bromo-5-fluorophenyl)-1-cycloheptyl-N-methylethanamine
CID 65398871
1-(2-bromo-5-fluorophenyl)-3-(4-bromophenyl)-N-methylpropan-2-amine
CID 63412893
2-(2-bromo-5-fluorophenyl)-1-(3,5-dimethylphenyl)-N-methylethanamine
CID 115843550
(2S)-1-(2-bromo-5-fluorophenyl)propan-2-amine
CID 71270516
2-[(2-bromo-5-fluorophenyl)methyl]-N-methylbutan-1-amine
CID 62530745
1-(2-bromo-5-fluorophenyl)-2-N,3-diethyl-3-N,3-N-dimethylpentane-2,3-diamine
CID 79058846

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-fluorophenyl)-N,3,3-trimethylbutan-2-amine?
The IUPAC name of 1-(2-bromo-5-fluorophenyl)-N,3,3-trimethylbutan-2-amine (CID 62599843) is 1-(2-bromo-5-fluorophenyl)-N,3,3-trimethylbutan-2-amine.
What is the SMILES notation for 1-(2-bromo-5-fluorophenyl)-N,3,3-trimethylbutan-2-amine?
The canonical SMILES for 1-(2-bromo-5-fluorophenyl)-N,3,3-trimethylbutan-2-amine is CNC(Cc1cc(F)ccc1Br)C(C)(C)C.
What is the InChIKey of 1-(2-bromo-5-fluorophenyl)-N,3,3-trimethylbutan-2-amine?
The InChIKey is LEGUHGCWGXLUMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrFN/c1-13(2,3)12(16-4)8-9-7-10(15)5-6-11(9)14/h5-7,12,16H,8H2,1-4H3.
What are the key properties of 1-(2-bromo-5-fluorophenyl)-N,3,3-trimethylbutan-2-amine?
1-(2-bromo-5-fluorophenyl)-N,3,3-trimethylbutan-2-amine has a molecular weight of 288.20 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-fluorophenyl)-N,3,3-trimethylbutan-2-amine is sourced from PubChem (CID 62599843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).