1-(2-bromo-4-fluorophenyl)-N-ethyl-2,2-dimethylpropan-1-amine

C13H19BrFN — CID 115854269

IUPAC1-(2-bromo-4-fluorophenyl)-N-ethyl-2,2-dimethylpropan-1-amine
SMILESCCNC(c1ccc(F)cc1Br)C(C)(C)C
InChIInChI=1S/C13H19BrFN/c1-5-16-12(13(2,3)4)10-7-6-9(15)8-11(10)14/h6-8,12,16H,5H2,1-4H3
InChIKeyXGVLYTBLIHSEHK-UHFFFAOYSA-N
MW288.20 g/mol
LogP4.28
Rot. Bonds3

About 1-(2-bromo-4-fluorophenyl)-N-ethyl-2,2-dimethylpropan-1-amine

1-(2-bromo-4-fluorophenyl)-N-ethyl-2,2-dimethylpropan-1-amine (PubChem CID 115854269) has the molecular formula C13H19BrFN and a molecular weight of 288.20 g/mol. Its IUPAC name is 1-(2-bromo-4-fluorophenyl)-N-ethyl-2,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name1-(2-bromo-4-fluorophenyl)-N-ethyl-2,2-dimethylpropan-1-amine
PubChem CID115854269
Molecular FormulaC13H19BrFN
Molecular Weight288.20 g/mol
Exact Mass287.07
IUPAC Name1-(2-bromo-4-fluorophenyl)-N-ethyl-2,2-dimethylpropan-1-amine
SMILESCCNC(c1ccc(F)cc1Br)C(C)(C)C
InChIInChI=1S/C13H19BrFN/c1-5-16-12(13(2,3)4)10-7-6-9(15)8-11(10)14/h6-8,12,16H,5H2,1-4H3
InChIKeyXGVLYTBLIHSEHK-UHFFFAOYSA-N
XLogP4.28
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 ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,4-difluorophenyl)-N-ethyl-2,2-dimethylpropan-1-amine
CID 43491007
N-[(2-bromo-4-fluorophenyl)-(4-bromophenyl)methyl]ethanamine
CID 43488718
1-(2-bromo-4-fluorophenyl)-N-ethylbut-3-en-1-amine
CID 115814229
1-(2-bromo-5-fluorophenyl)-N-ethyl-2-methylpropan-1-amine
CID 114978545
N-[(2-bromo-4-fluorophenyl)-(2,4-difluoro-5-methylphenyl)methyl]ethanamine
CID 79726735
1-(2-chloro-4-fluorophenyl)-2,2-dimethyl-N-propylpropan-1-amine
CID 63419715
1-(2-bromo-4-fluorophenyl)-2-cyclopentyl-N-ethylethanamine
CID 115847237
1-N-ethyl-1-(4-fluoro-2-methylphenyl)-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 79053416
1-(2-bromo-4-fluorophenyl)-2-(3-bromothiophen-2-yl)-N-ethylethanamine
CID 115848907
N-[(2-bromo-4-fluorophenyl)-(5-bromo-4-methylthiophen-2-yl)methyl]ethanamine
CID 79991219
1-(2-bromo-4-fluorophenyl)-2-(2,6-dichlorophenyl)-N-ethylethanamine
CID 115830230
1-N,2-N,2-N-triethyl-1-(4-fluoro-2-methylphenyl)-2-methylpropane-1,2-diamine
CID 79056921

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-fluorophenyl)-N-ethyl-2,2-dimethylpropan-1-amine?
The IUPAC name of 1-(2-bromo-4-fluorophenyl)-N-ethyl-2,2-dimethylpropan-1-amine (CID 115854269) is 1-(2-bromo-4-fluorophenyl)-N-ethyl-2,2-dimethylpropan-1-amine.
What is the SMILES notation for 1-(2-bromo-4-fluorophenyl)-N-ethyl-2,2-dimethylpropan-1-amine?
The canonical SMILES for 1-(2-bromo-4-fluorophenyl)-N-ethyl-2,2-dimethylpropan-1-amine is CCNC(c1ccc(F)cc1Br)C(C)(C)C.
What is the InChIKey of 1-(2-bromo-4-fluorophenyl)-N-ethyl-2,2-dimethylpropan-1-amine?
The InChIKey is XGVLYTBLIHSEHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrFN/c1-5-16-12(13(2,3)4)10-7-6-9(15)8-11(10)14/h6-8,12,16H,5H2,1-4H3.
What are the key properties of 1-(2-bromo-4-fluorophenyl)-N-ethyl-2,2-dimethylpropan-1-amine?
1-(2-bromo-4-fluorophenyl)-N-ethyl-2,2-dimethylpropan-1-amine has a molecular weight of 288.20 g/mol, XLogP of 4.28, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-fluorophenyl)-N-ethyl-2,2-dimethylpropan-1-amine is sourced from PubChem (CID 115854269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).