1-(2-bromo-4-fluorophenyl)hexan-3-amine

C12H17BrFN — CID 43370453

IUPAC1-(2-bromo-4-fluorophenyl)hexan-3-amine
SMILESCCCC(N)CCc1ccc(F)cc1Br
InChIInChI=1S/C12H17BrFN/c1-2-3-11(15)7-5-9-4-6-10(14)8-12(9)13/h4,6,8,11H,2-3,5,7,15H2,1H3
InChIKeyRAAGRYIBPFMTHA-UHFFFAOYSA-N
MW274.18 g/mol
LogP3.65
Rot. Bonds5

About 1-(2-bromo-4-fluorophenyl)hexan-3-amine

1-(2-bromo-4-fluorophenyl)hexan-3-amine (PubChem CID 43370453) has the molecular formula C12H17BrFN and a molecular weight of 274.18 g/mol. Its IUPAC name is 1-(2-bromo-4-fluorophenyl)hexan-3-amine.

Molecular Properties

Compound Name1-(2-bromo-4-fluorophenyl)hexan-3-amine
PubChem CID43370453
Molecular FormulaC12H17BrFN
Molecular Weight274.18 g/mol
Exact Mass273.05
IUPAC Name1-(2-bromo-4-fluorophenyl)hexan-3-amine
SMILESCCCC(N)CCc1ccc(F)cc1Br
InChIInChI=1S/C12H17BrFN/c1-2-3-11(15)7-5-9-4-6-10(14)8-12(9)13/h4,6,8,11H,2-3,5,7,15H2,1H3
InChIKeyRAAGRYIBPFMTHA-UHFFFAOYSA-N
XLogP3.65
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.18
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-bromo-4-fluorophenyl)-N-ethylhexan-3-amine
CID 60996816
1-(2-bromo-5-fluorophenyl)pentan-2-amine
CID 62601078
2-bromo-1-(4-bromopentyl)-4-fluorobenzene
CID 64508019
2-bromo-1-(3-bromo-4-methoxybutyl)-4-fluorobenzene
CID 62318931
1-(2-bromo-4-fluorophenyl)-3-ethylsulfanylpropan-2-amine
CID 65128193
4-(2-bromo-4-fluorophenyl)-2-methyl-N-propan-2-ylbutan-1-amine
CID 64665424
1-(3-bromo-4-ethylphenyl)heptan-4-amine
CID 83921620
1-(2-bromo-5-fluorophenyl)butan-1-amine
CID 83988354
(1S)-1-(2-bromo-5-fluorophenyl)butan-1-amine
CID 103694433
1-(4-fluoro-2-methylphenyl)-3-methylhexan-2-amine
CID 105051076
1-[3-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 107280243
1-(2,4-dichlorophenyl)hexan-3-amine
CID 43370461

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-fluorophenyl)hexan-3-amine?
The IUPAC name of 1-(2-bromo-4-fluorophenyl)hexan-3-amine (CID 43370453) is 1-(2-bromo-4-fluorophenyl)hexan-3-amine.
What is the SMILES notation for 1-(2-bromo-4-fluorophenyl)hexan-3-amine?
The canonical SMILES for 1-(2-bromo-4-fluorophenyl)hexan-3-amine is CCCC(N)CCc1ccc(F)cc1Br.
What is the InChIKey of 1-(2-bromo-4-fluorophenyl)hexan-3-amine?
The InChIKey is RAAGRYIBPFMTHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrFN/c1-2-3-11(15)7-5-9-4-6-10(14)8-12(9)13/h4,6,8,11H,2-3,5,7,15H2,1H3.
What are the key properties of 1-(2-bromo-4-fluorophenyl)hexan-3-amine?
1-(2-bromo-4-fluorophenyl)hexan-3-amine has a molecular weight of 274.18 g/mol, XLogP of 3.65, 5 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)hexan-3-amine is sourced from PubChem (CID 43370453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).