1-(2-bromo-4-fluorophenyl)-N-propylbutan-2-amine

C13H19BrFN — CID 62601157

IUPAC1-(2-bromo-4-fluorophenyl)-N-propylbutan-2-amine
SMILESCCCNC(CC)Cc1ccc(F)cc1Br
InChIInChI=1S/C13H19BrFN/c1-3-7-16-12(4-2)8-10-5-6-11(15)9-13(10)14/h5-6,9,12,16H,3-4,7-8H2,1-2H3
InChIKeyZYGLGDOIICYCQF-UHFFFAOYSA-N
MW288.20 g/mol
LogP3.91
Rot. Bonds6

About 1-(2-bromo-4-fluorophenyl)-N-propylbutan-2-amine

1-(2-bromo-4-fluorophenyl)-N-propylbutan-2-amine (PubChem CID 62601157) has the molecular formula C13H19BrFN and a molecular weight of 288.20 g/mol. Its IUPAC name is 1-(2-bromo-4-fluorophenyl)-N-propylbutan-2-amine.

Molecular Properties

Compound Name1-(2-bromo-4-fluorophenyl)-N-propylbutan-2-amine
PubChem CID62601157
Molecular FormulaC13H19BrFN
Molecular Weight288.20 g/mol
Exact Mass287.07
IUPAC Name1-(2-bromo-4-fluorophenyl)-N-propylbutan-2-amine
SMILESCCCNC(CC)Cc1ccc(F)cc1Br
InChIInChI=1S/C13H19BrFN/c1-3-7-16-12(4-2)8-10-5-6-11(15)9-13(10)14/h5-6,9,12,16H,3-4,7-8H2,1-2H3
InChIKeyZYGLGDOIICYCQF-UHFFFAOYSA-N
XLogP3.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.20
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-bromo-4-fluorophenyl)-N-propylheptan-2-amine
CID 115843240
1-(2-bromo-4-fluorophenyl)-4-propoxy-N-propylbutan-2-amine
CID 105136340
1-(2-bromo-4-fluorophenyl)-4-ethoxy-N-propylbutan-2-amine
CID 105136270
1-(5-fluoro-2-methylphenyl)-N-propylbutan-2-amine
CID 105373717
N-[2-(2-bromo-4-fluorophenyl)-1-phenylethyl]propan-1-amine
CID 63413016
N-[2-(2-bromo-4-fluorophenyl)-1-(5-fluoro-2-pyridinyl)ethyl]propan-1-amine
CID 79707449
N-[2-(2-bromo-4-fluorophenyl)-1-(oxan-2-yl)ethyl]propan-1-amine
CID 115843320
1-(2-bromo-4-fluorophenyl)-N,3-diethylpentan-2-amine
CID 115843078
N-[2-(2-bromo-4-fluorophenyl)-1-(3-methylfuran-2-yl)ethyl]propan-1-amine
CID 104805965
N-[2-(2-bromo-4-fluorophenyl)-1-(3-methyl-1,4-dithian-2-yl)ethyl]propan-1-amine
CID 115387292
1-(2-bromo-5-fluorophenyl)-N-propyl-3-pyridin-4-ylpropan-2-amine
CID 62605292
1-(2-bromo-4-fluorophenyl)-N-ethyl-3-methylbutan-2-amine
CID 62600953

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-fluorophenyl)-N-propylbutan-2-amine?
The IUPAC name of 1-(2-bromo-4-fluorophenyl)-N-propylbutan-2-amine (CID 62601157) is 1-(2-bromo-4-fluorophenyl)-N-propylbutan-2-amine.
What is the SMILES notation for 1-(2-bromo-4-fluorophenyl)-N-propylbutan-2-amine?
The canonical SMILES for 1-(2-bromo-4-fluorophenyl)-N-propylbutan-2-amine is CCCNC(CC)Cc1ccc(F)cc1Br.
What is the InChIKey of 1-(2-bromo-4-fluorophenyl)-N-propylbutan-2-amine?
The InChIKey is ZYGLGDOIICYCQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrFN/c1-3-7-16-12(4-2)8-10-5-6-11(15)9-13(10)14/h5-6,9,12,16H,3-4,7-8H2,1-2H3.
What are the key properties of 1-(2-bromo-4-fluorophenyl)-N-propylbutan-2-amine?
1-(2-bromo-4-fluorophenyl)-N-propylbutan-2-amine has a molecular weight of 288.20 g/mol, XLogP of 3.91, 6 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-propylbutan-2-amine is sourced from PubChem (CID 62601157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).