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

C15H15BrFNO — CID 62717569

IUPAC1-(2-bromo-4-fluorophenyl)-3-phenoxypropan-2-amine
SMILESNC(COc1ccccc1)Cc1ccc(F)cc1Br
InChIInChI=1S/C15H15BrFNO/c16-15-9-12(17)7-6-11(15)8-13(18)10-19-14-4-2-1-3-5-14/h1-7,9,13H,8,10,18H2
InChIKeyBHRYPORUNARNPC-UHFFFAOYSA-N
MW324.19 g/mol
LogP3.54
Rot. Bonds5

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

1-(2-bromo-4-fluorophenyl)-3-phenoxypropan-2-amine (PubChem CID 62717569) has the molecular formula C15H15BrFNO and a molecular weight of 324.19 g/mol. Its IUPAC name is 1-(2-bromo-4-fluorophenyl)-3-phenoxypropan-2-amine.

Molecular Properties

Compound Name1-(2-bromo-4-fluorophenyl)-3-phenoxypropan-2-amine
PubChem CID62717569
Molecular FormulaC15H15BrFNO
Molecular Weight324.19 g/mol
Exact Mass323.03
IUPAC Name1-(2-bromo-4-fluorophenyl)-3-phenoxypropan-2-amine
SMILESNC(COc1ccccc1)Cc1ccc(F)cc1Br
InChIInChI=1S/C15H15BrFNO/c16-15-9-12(17)7-6-11(15)8-13(18)10-19-14-4-2-1-3-5-14/h1-7,9,13H,8,10,18H2
InChIKeyBHRYPORUNARNPC-UHFFFAOYSA-N
XLogP3.54
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.19
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromo-4-fluorophenyl)-N-methyl-4-phenoxybutan-2-amine
CID 62608478
1-(2-bromo-4-fluorophenyl)-3-(2-chloro-4-fluorophenyl)propan-2-amine
CID 63420117
1-(2-bromo-4-fluorophenyl)-3-phenoxypropan-2-one
CID 62717383
[1-(2-bromo-4-fluorophenyl)-3-(4-chlorophenoxy)propan-2-yl]hydrazine
CID 105296649
1-(2-bromo-4-fluorophenyl)-3-(3,4-difluorophenyl)propan-2-amine
CID 115843232
1-(2-bromo-4-fluorophenyl)-3-ethylsulfanylpropan-2-amine
CID 65128193
1-(2-bromophenyl)-3-(2-chloro-4-fluorophenyl)propan-2-amine
CID 55118420
1,2-bis(2-bromo-4-fluorophenyl)ethanamine
CID 115843294
1-(2-bromo-4-fluorophenyl)-3-cyclopentylpropan-2-amine
CID 115843237
1-[4-[(2-bromo-4-fluorophenyl)methoxy]phenyl]propan-2-amine
CID 60908405
3-(2-bromo-4-fluorophenyl)-1,1-diethoxypropan-2-amine
CID 79496447
1-(4-chlorophenoxy)-3-(2-fluorophenyl)propan-2-amine
CID 105090089

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-fluorophenyl)-3-phenoxypropan-2-amine?
The IUPAC name of 1-(2-bromo-4-fluorophenyl)-3-phenoxypropan-2-amine (CID 62717569) is 1-(2-bromo-4-fluorophenyl)-3-phenoxypropan-2-amine.
What is the SMILES notation for 1-(2-bromo-4-fluorophenyl)-3-phenoxypropan-2-amine?
The canonical SMILES for 1-(2-bromo-4-fluorophenyl)-3-phenoxypropan-2-amine is NC(COc1ccccc1)Cc1ccc(F)cc1Br.
What is the InChIKey of 1-(2-bromo-4-fluorophenyl)-3-phenoxypropan-2-amine?
The InChIKey is BHRYPORUNARNPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFNO/c16-15-9-12(17)7-6-11(15)8-13(18)10-19-14-4-2-1-3-5-14/h1-7,9,13H,8,10,18H2.
What are the key properties of 1-(2-bromo-4-fluorophenyl)-3-phenoxypropan-2-amine?
1-(2-bromo-4-fluorophenyl)-3-phenoxypropan-2-amine has a molecular weight of 324.19 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-fluorophenyl)-3-phenoxypropan-2-amine is sourced from PubChem (CID 62717569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).