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

C12H17BrFNO — CID 105169372

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

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

1-(3-bromo-5-fluorophenyl)-3-propan-2-yloxypropan-2-amine (PubChem CID 105169372) has the molecular formula C12H17BrFNO and a molecular weight of 290.18 g/mol. Its IUPAC name is 1-(3-bromo-5-fluorophenyl)-3-propan-2-yloxypropan-2-amine.

Molecular Properties

Compound Name1-(3-bromo-5-fluorophenyl)-3-propan-2-yloxypropan-2-amine
PubChem CID105169372
Molecular FormulaC12H17BrFNO
Molecular Weight290.18 g/mol
Exact Mass289.05
IUPAC Name1-(3-bromo-5-fluorophenyl)-3-propan-2-yloxypropan-2-amine
SMILESCC(C)OCC(N)Cc1cc(F)cc(Br)c1
InChIInChI=1S/C12H17BrFNO/c1-8(2)16-7-12(15)5-9-3-10(13)6-11(14)4-9/h3-4,6,8,12H,5,7,15H2,1-2H3
InChIKeyBZJHPFYOSJHXBI-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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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-fluorophenyl)-3-propan-2-yloxypropan-2-amine?
The IUPAC name of 1-(3-bromo-5-fluorophenyl)-3-propan-2-yloxypropan-2-amine (CID 105169372) is 1-(3-bromo-5-fluorophenyl)-3-propan-2-yloxypropan-2-amine.
What is the SMILES notation for 1-(3-bromo-5-fluorophenyl)-3-propan-2-yloxypropan-2-amine?
The canonical SMILES for 1-(3-bromo-5-fluorophenyl)-3-propan-2-yloxypropan-2-amine is CC(C)OCC(N)Cc1cc(F)cc(Br)c1.
What is the InChIKey of 1-(3-bromo-5-fluorophenyl)-3-propan-2-yloxypropan-2-amine?
The InChIKey is BZJHPFYOSJHXBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrFNO/c1-8(2)16-7-12(15)5-9-3-10(13)6-11(14)4-9/h3-4,6,8,12H,5,7,15H2,1-2H3.
What are the key properties of 1-(3-bromo-5-fluorophenyl)-3-propan-2-yloxypropan-2-amine?
1-(3-bromo-5-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-(3-bromo-5-fluorophenyl)-3-propan-2-yloxypropan-2-amine is sourced from PubChem (CID 105169372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).