1-(3-bromo-4-fluorophenoxy)-1-(2-bromophenyl)propan-2-amine

C15H14Br2FNO — CID 83232003

IUPAC1-(3-bromo-4-fluorophenoxy)-1-(2-bromophenyl)propan-2-amine
SMILESCC(N)C(Oc1ccc(F)c(Br)c1)c1ccccc1Br
InChIInChI=1S/C15H14Br2FNO/c1-9(19)15(11-4-2-3-5-12(11)16)20-10-6-7-14(18)13(17)8-10/h2-9,15H,19H2,1H3
InChIKeyTVRNRAFSNVOBNR-UHFFFAOYSA-N
MW403.09 g/mol
LogP4.82
Rot. Bonds4

About 1-(3-bromo-4-fluorophenoxy)-1-(2-bromophenyl)propan-2-amine

1-(3-bromo-4-fluorophenoxy)-1-(2-bromophenyl)propan-2-amine (PubChem CID 83232003) has the molecular formula C15H14Br2FNO and a molecular weight of 403.09 g/mol. Its IUPAC name is 1-(3-bromo-4-fluorophenoxy)-1-(2-bromophenyl)propan-2-amine.

Molecular Properties

Compound Name1-(3-bromo-4-fluorophenoxy)-1-(2-bromophenyl)propan-2-amine
PubChem CID83232003
Molecular FormulaC15H14Br2FNO
Molecular Weight403.09 g/mol
Exact Mass400.94
IUPAC Name1-(3-bromo-4-fluorophenoxy)-1-(2-bromophenyl)propan-2-amine
SMILESCC(N)C(Oc1ccc(F)c(Br)c1)c1ccccc1Br
InChIInChI=1S/C15H14Br2FNO/c1-9(19)15(11-4-2-3-5-12(11)16)20-10-6-7-14(18)13(17)8-10/h2-9,15H,19H2,1H3
InChIKeyTVRNRAFSNVOBNR-UHFFFAOYSA-N
XLogP4.82
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.09
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromophenyl)-1-(3-fluorophenoxy)propan-2-amine
CID 55023034
1-(4-bromophenoxy)-1-(2-bromophenyl)propan-2-amine
CID 55022646
1-(2-bromophenyl)-1-(3-ethoxyphenoxy)propan-2-amine
CID 62337254
1-(3,5-difluorophenoxy)-1-(2-fluorophenyl)propan-2-amine
CID 62785959
1-(4-chloro-3-fluorophenoxy)-1-(2-fluorophenyl)propan-2-amine
CID 82716782
1-(3-ethoxyphenoxy)-1-(2-fluorophenyl)propan-2-amine
CID 62337853
(3-bromo-4-fluorophenyl)-(2-bromophenyl)methanamine
CID 79746837
1-(3,5-dichlorophenoxy)-1-(2-methylphenyl)propan-2-amine
CID 63461961
1-(3-bromo-4-fluorophenoxy)-1-(furan-2-yl)butan-2-amine
CID 83232350
1-(2-chlorophenyl)-1-(3-fluorophenoxy)propan-2-amine
CID 55022859
(1R)-1-[2-(3-bromo-4-fluorophenoxy)phenyl]propan-1-amine
CID 103959458
2-(3-bromo-4-fluorophenoxy)propanenitrile
CID 83233217

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-fluorophenoxy)-1-(2-bromophenyl)propan-2-amine?
The IUPAC name of 1-(3-bromo-4-fluorophenoxy)-1-(2-bromophenyl)propan-2-amine (CID 83232003) is 1-(3-bromo-4-fluorophenoxy)-1-(2-bromophenyl)propan-2-amine.
What is the SMILES notation for 1-(3-bromo-4-fluorophenoxy)-1-(2-bromophenyl)propan-2-amine?
The canonical SMILES for 1-(3-bromo-4-fluorophenoxy)-1-(2-bromophenyl)propan-2-amine is CC(N)C(Oc1ccc(F)c(Br)c1)c1ccccc1Br.
What is the InChIKey of 1-(3-bromo-4-fluorophenoxy)-1-(2-bromophenyl)propan-2-amine?
The InChIKey is TVRNRAFSNVOBNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Br2FNO/c1-9(19)15(11-4-2-3-5-12(11)16)20-10-6-7-14(18)13(17)8-10/h2-9,15H,19H2,1H3.
What are the key properties of 1-(3-bromo-4-fluorophenoxy)-1-(2-bromophenyl)propan-2-amine?
1-(3-bromo-4-fluorophenoxy)-1-(2-bromophenyl)propan-2-amine has a molecular weight of 403.09 g/mol, XLogP of 4.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-fluorophenoxy)-1-(2-bromophenyl)propan-2-amine is sourced from PubChem (CID 83232003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).