1-(5-bromo-2-fluorophenyl)-3-propan-2-yloxypropan-2-amine

C12H17BrFNO — CID 105131839

IUPAC1-(5-bromo-2-fluorophenyl)-3-propan-2-yloxypropan-2-amine
SMILESCC(C)OCC(N)Cc1cc(Br)ccc1F
InChIInChI=1S/C12H17BrFNO/c1-8(2)16-7-11(15)6-9-5-10(13)3-4-12(9)14/h3-5,8,11H,6-7,15H2,1-2H3
InChIKeyQAGNOSXGVAVDAJ-UHFFFAOYSA-N
MW290.18 g/mol
LogP2.88
Rot. Bonds5

About 1-(5-bromo-2-fluorophenyl)-3-propan-2-yloxypropan-2-amine

1-(5-bromo-2-fluorophenyl)-3-propan-2-yloxypropan-2-amine (PubChem CID 105131839) has the molecular formula C12H17BrFNO and a molecular weight of 290.18 g/mol. Its IUPAC name is 1-(5-bromo-2-fluorophenyl)-3-propan-2-yloxypropan-2-amine.

Molecular Properties

Compound Name1-(5-bromo-2-fluorophenyl)-3-propan-2-yloxypropan-2-amine
PubChem CID105131839
Molecular FormulaC12H17BrFNO
Molecular Weight290.18 g/mol
Exact Mass289.05
IUPAC Name1-(5-bromo-2-fluorophenyl)-3-propan-2-yloxypropan-2-amine
SMILESCC(C)OCC(N)Cc1cc(Br)ccc1F
InChIInChI=1S/C12H17BrFNO/c1-8(2)16-7-11(15)6-9-5-10(13)3-4-12(9)14/h3-5,8,11H,6-7,15H2,1-2H3
InChIKeyQAGNOSXGVAVDAJ-UHFFFAOYSA-N
XLogP2.88
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.18
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromo-2-fluorophenyl)-3-(2,2,2-trifluoroethoxy)propan-2-amine
CID 103214921
1-(5-bromo-2-fluorophenyl)-3-(4-chlorophenoxy)propan-2-amine
CID 105131753
1-(5-bromo-2-fluorophenyl)-3-(2,6-difluorophenyl)propan-2-amine
CID 115839093
1-(5-bromo-2-fluorophenyl)-3-(2,5-dimethylphenyl)propan-2-amine
CID 115839839
1-(3-bromo-5-fluorophenyl)-3-propan-2-yloxypropan-2-amine
CID 105169372
1-(5-bromo-2-fluorophenyl)-3-(2,4-dichlorophenyl)propan-2-amine
CID 63412312
1-(5-bromo-2-fluorophenyl)-3-(2,3-difluorophenyl)propan-2-amine
CID 115839557
1-(5-bromo-2-fluorophenyl)-3-methylbutan-2-ol
CID 62608389
1-[5-bromo-2-[(5-bromo-2-fluorophenyl)methoxy]phenyl]propan-2-amine
CID 63421430
[1-(5-bromo-2-fluorophenyl)-3-methylpentan-2-yl]hydrazine
CID 105219642
2-(5-bromo-2-fluorophenyl)-1-cyclohexylethanamine
CID 55095635
2-(5-bromo-2-fluorophenyl)-1-(4-bromo-2-methoxyphenyl)ethanamine
CID 115839848

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-fluorophenyl)-3-propan-2-yloxypropan-2-amine?
The IUPAC name of 1-(5-bromo-2-fluorophenyl)-3-propan-2-yloxypropan-2-amine (CID 105131839) is 1-(5-bromo-2-fluorophenyl)-3-propan-2-yloxypropan-2-amine.
What is the SMILES notation for 1-(5-bromo-2-fluorophenyl)-3-propan-2-yloxypropan-2-amine?
The canonical SMILES for 1-(5-bromo-2-fluorophenyl)-3-propan-2-yloxypropan-2-amine is CC(C)OCC(N)Cc1cc(Br)ccc1F.
What is the InChIKey of 1-(5-bromo-2-fluorophenyl)-3-propan-2-yloxypropan-2-amine?
The InChIKey is QAGNOSXGVAVDAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrFNO/c1-8(2)16-7-11(15)6-9-5-10(13)3-4-12(9)14/h3-5,8,11H,6-7,15H2,1-2H3.
What are the key properties of 1-(5-bromo-2-fluorophenyl)-3-propan-2-yloxypropan-2-amine?
1-(5-bromo-2-fluorophenyl)-3-propan-2-yloxypropan-2-amine has a molecular weight of 290.18 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-fluorophenyl)-3-propan-2-yloxypropan-2-amine is sourced from PubChem (CID 105131839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).