1-(2-bromo-3-fluorophenyl)-3-ethylpentan-1-amine

C13H19BrFN — CID 105028423

IUPAC1-(2-bromo-3-fluorophenyl)-3-ethylpentan-1-amine
SMILESCCC(CC)CC(N)c1cccc(F)c1Br
InChIInChI=1S/C13H19BrFN/c1-3-9(4-2)8-12(16)10-6-5-7-11(15)13(10)14/h5-7,9,12H,3-4,8,16H2,1-2H3
InChIKeyZCQAVAXVEQYWPA-UHFFFAOYSA-N
MW288.20 g/mol
LogP4.41
Rot. Bonds5

About 1-(2-bromo-3-fluorophenyl)-3-ethylpentan-1-amine

1-(2-bromo-3-fluorophenyl)-3-ethylpentan-1-amine (PubChem CID 105028423) has the molecular formula C13H19BrFN and a molecular weight of 288.20 g/mol. Its IUPAC name is 1-(2-bromo-3-fluorophenyl)-3-ethylpentan-1-amine.

Molecular Properties

Compound Name1-(2-bromo-3-fluorophenyl)-3-ethylpentan-1-amine
PubChem CID105028423
Molecular FormulaC13H19BrFN
Molecular Weight288.20 g/mol
Exact Mass287.07
IUPAC Name1-(2-bromo-3-fluorophenyl)-3-ethylpentan-1-amine
SMILESCCC(CC)CC(N)c1cccc(F)c1Br
InChIInChI=1S/C13H19BrFN/c1-3-9(4-2)8-12(16)10-6-5-7-11(15)13(10)14/h5-7,9,12H,3-4,8,16H2,1-2H3
InChIKeyZCQAVAXVEQYWPA-UHFFFAOYSA-N
XLogP4.41
TPSA26.02 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 ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-bromo-3,4-difluorophenyl)-3-ethylpentan-1-amine
CID 107538885
(1R)-1-(2-bromo-3-fluorophenyl)propane-1,3-diamine
CID 130889083
1-(2-bromo-3-fluorophenyl)-2-(4-ethylphenyl)ethanamine
CID 115803766
1-(2-bromo-3-fluorophenyl)nonan-1-amine
CID 115835760
(2R)-2-amino-2-(2-bromo-3-fluorophenyl)ethanol;hydrochloride
CID 171224063
1-(2-bromo-3-fluorophenyl)-4,4,4-trifluorobutan-1-amine
CID 104992921
1-(2-bromo-3-fluorophenyl)but-3-yn-1-amine
CID 114977875
(2-bromo-3-fluorophenyl)-(3,5-difluorophenyl)methanamine
CID 115851739
1-(2,3-dichlorophenyl)-3-ethylpentan-1-amine
CID 105028441
(1S,2R)-1-amino-1-(2-bromo-3-fluorophenyl)propan-2-ol;hydrochloride
CID 171267992
1-(2,5-difluorophenyl)-3-ethylpentan-1-amine
CID 82922237
1-(2-bromo-3-fluorophenyl)pent-4-en-1-amine
CID 104987731

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-3-fluorophenyl)-3-ethylpentan-1-amine?
The IUPAC name of 1-(2-bromo-3-fluorophenyl)-3-ethylpentan-1-amine (CID 105028423) is 1-(2-bromo-3-fluorophenyl)-3-ethylpentan-1-amine.
What is the SMILES notation for 1-(2-bromo-3-fluorophenyl)-3-ethylpentan-1-amine?
The canonical SMILES for 1-(2-bromo-3-fluorophenyl)-3-ethylpentan-1-amine is CCC(CC)CC(N)c1cccc(F)c1Br.
What is the InChIKey of 1-(2-bromo-3-fluorophenyl)-3-ethylpentan-1-amine?
The InChIKey is ZCQAVAXVEQYWPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrFN/c1-3-9(4-2)8-12(16)10-6-5-7-11(15)13(10)14/h5-7,9,12H,3-4,8,16H2,1-2H3.
What are the key properties of 1-(2-bromo-3-fluorophenyl)-3-ethylpentan-1-amine?
1-(2-bromo-3-fluorophenyl)-3-ethylpentan-1-amine has a molecular weight of 288.20 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-3-fluorophenyl)-3-ethylpentan-1-amine is sourced from PubChem (CID 105028423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).