1-(2-bromo-5-fluorophenyl)-N-ethyl-2-methylpropan-1-amine

C12H17BrFN — CID 114978545

IUPAC1-(2-bromo-5-fluorophenyl)-N-ethyl-2-methylpropan-1-amine
SMILESCCNC(c1cc(F)ccc1Br)C(C)C
InChIInChI=1S/C12H17BrFN/c1-4-15-12(8(2)3)10-7-9(14)5-6-11(10)13/h5-8,12,15H,4H2,1-3H3
InChIKeyLKTRNGGVWRYAGT-UHFFFAOYSA-N
MW274.18 g/mol
LogP3.89
Rot. Bonds4

About 1-(2-bromo-5-fluorophenyl)-N-ethyl-2-methylpropan-1-amine

1-(2-bromo-5-fluorophenyl)-N-ethyl-2-methylpropan-1-amine (PubChem CID 114978545) has the molecular formula C12H17BrFN and a molecular weight of 274.18 g/mol. Its IUPAC name is 1-(2-bromo-5-fluorophenyl)-N-ethyl-2-methylpropan-1-amine.

Molecular Properties

Compound Name1-(2-bromo-5-fluorophenyl)-N-ethyl-2-methylpropan-1-amine
PubChem CID114978545
Molecular FormulaC12H17BrFN
Molecular Weight274.18 g/mol
Exact Mass273.05
IUPAC Name1-(2-bromo-5-fluorophenyl)-N-ethyl-2-methylpropan-1-amine
SMILESCCNC(c1cc(F)ccc1Br)C(C)C
InChIInChI=1S/C12H17BrFN/c1-4-15-12(8(2)3)10-7-9(14)5-6-11(10)13/h5-8,12,15H,4H2,1-3H3
InChIKeyLKTRNGGVWRYAGT-UHFFFAOYSA-N
XLogP3.89
TPSA12.03 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 ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-bromo-5-methylphenyl)-N-ethyl-2-methylpropan-1-amine
CID 114978438
[1-(2-bromo-5-fluorophenyl)-2-methylpropyl]hydrazine
CID 105281765
1-(2-bromo-5-fluorophenyl)-N-ethylprop-2-yn-1-amine
CID 104995612
N-[(2-bromo-5-fluorophenyl)-(5-fluoro-2-methylphenyl)methyl]ethanamine
CID 115851922
2-(2-bromo-4-fluorophenyl)-1-(2-bromo-5-fluorophenyl)-N-ethylethanamine
CID 115843155
N-[(2-bromo-5-fluorophenyl)-(2,5-dibromo-4-methylphenyl)methyl]ethanamine
CID 81472919
N-[(2-bromo-5-fluorophenyl)-(2,3,4-trifluorophenyl)methyl]ethanamine
CID 115855214
1-(2-bromo-5-fluorophenyl)-N-ethyl-2-(4-fluoro-2-methylphenyl)ethanamine
CID 105051093
N-[(2-bromo-5-fluorophenyl)-(2-chloro-4,5-difluorophenyl)methyl]ethanamine
CID 107476519
N-[(2-bromo-5-fluorophenyl)-(4-chloro-2-fluorophenyl)methyl]ethanamine
CID 105022583
(1S)-1-(2-bromo-5-fluorophenyl)-2-methylpropan-1-amine
CID 131093124
N-[(2-bromo-5-fluorophenyl)-(4-methoxyphenyl)methyl]ethanamine
CID 43489240

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-fluorophenyl)-N-ethyl-2-methylpropan-1-amine?
The IUPAC name of 1-(2-bromo-5-fluorophenyl)-N-ethyl-2-methylpropan-1-amine (CID 114978545) is 1-(2-bromo-5-fluorophenyl)-N-ethyl-2-methylpropan-1-amine.
What is the SMILES notation for 1-(2-bromo-5-fluorophenyl)-N-ethyl-2-methylpropan-1-amine?
The canonical SMILES for 1-(2-bromo-5-fluorophenyl)-N-ethyl-2-methylpropan-1-amine is CCNC(c1cc(F)ccc1Br)C(C)C.
What is the InChIKey of 1-(2-bromo-5-fluorophenyl)-N-ethyl-2-methylpropan-1-amine?
The InChIKey is LKTRNGGVWRYAGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrFN/c1-4-15-12(8(2)3)10-7-9(14)5-6-11(10)13/h5-8,12,15H,4H2,1-3H3.
What are the key properties of 1-(2-bromo-5-fluorophenyl)-N-ethyl-2-methylpropan-1-amine?
1-(2-bromo-5-fluorophenyl)-N-ethyl-2-methylpropan-1-amine has a molecular weight of 274.18 g/mol, XLogP of 3.89, 4 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-ethyl-2-methylpropan-1-amine is sourced from PubChem (CID 114978545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).