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

C15H15BrFNO — CID 55015652

IUPAC1-(4-bromophenyl)-1-(3-fluorophenoxy)propan-2-amine
SMILESCC(N)C(Oc1cccc(F)c1)c1ccc(Br)cc1
InChIInChI=1S/C15H15BrFNO/c1-10(18)15(11-5-7-12(16)8-6-11)19-14-4-2-3-13(17)9-14/h2-10,15H,18H2,1H3
InChIKeyXMABTCKALKHXPX-UHFFFAOYSA-N
MW324.19 g/mol
LogP4.06
Rot. Bonds4

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

1-(4-bromophenyl)-1-(3-fluorophenoxy)propan-2-amine (PubChem CID 55015652) has the molecular formula C15H15BrFNO and a molecular weight of 324.19 g/mol. Its IUPAC name is 1-(4-bromophenyl)-1-(3-fluorophenoxy)propan-2-amine.

Molecular Properties

Compound Name1-(4-bromophenyl)-1-(3-fluorophenoxy)propan-2-amine
PubChem CID55015652
Molecular FormulaC15H15BrFNO
Molecular Weight324.19 g/mol
Exact Mass323.03
IUPAC Name1-(4-bromophenyl)-1-(3-fluorophenoxy)propan-2-amine
SMILESCC(N)C(Oc1cccc(F)c1)c1ccc(Br)cc1
InChIInChI=1S/C15H15BrFNO/c1-10(18)15(11-5-7-12(16)8-6-11)19-14-4-2-3-13(17)9-14/h2-10,15H,18H2,1H3
InChIKeyXMABTCKALKHXPX-UHFFFAOYSA-N
XLogP4.06
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.19
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromophenoxy)-1-(4-fluorophenyl)propan-2-amine
CID 55014732
1-(2-bromophenyl)-1-(3-fluorophenoxy)propan-2-amine
CID 55023034
1-(4-bromophenyl)-1-(3-chloro-4-fluorophenoxy)propan-2-amine
CID 63877779
1-(4-bromophenyl)-1-(4-chloro-3-fluorophenoxy)propan-2-amine
CID 82716945
1-(4-fluorophenyl)-1-(3-iodophenoxy)propan-2-amine
CID 55015269
1-(2-chlorophenyl)-1-(3-fluorophenoxy)propan-2-amine
CID 55022859
1-(3-ethoxyphenoxy)-1-(3-fluorophenyl)propan-2-amine
CID 62338448
1-(4-fluorophenyl)-1-[3-(methoxymethyl)phenoxy]propan-2-amine
CID 63984561
1-(3-bromo-5-fluorophenoxy)-1-pyridin-4-ylpropan-2-amine
CID 81321859
1-(4-bromophenyl)-1-(3,5-difluorophenoxy)butan-2-amine
CID 62784834
4-[(1R,2S)-2-amino-1-(4-bromophenyl)propoxy]benzoic acid
CID 126713985
1-(3-methylphenoxy)-1-(3-methylphenyl)propan-2-amine
CID 55020131

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-1-(3-fluorophenoxy)propan-2-amine?
The IUPAC name of 1-(4-bromophenyl)-1-(3-fluorophenoxy)propan-2-amine (CID 55015652) is 1-(4-bromophenyl)-1-(3-fluorophenoxy)propan-2-amine.
What is the SMILES notation for 1-(4-bromophenyl)-1-(3-fluorophenoxy)propan-2-amine?
The canonical SMILES for 1-(4-bromophenyl)-1-(3-fluorophenoxy)propan-2-amine is CC(N)C(Oc1cccc(F)c1)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-1-(3-fluorophenoxy)propan-2-amine?
The InChIKey is XMABTCKALKHXPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFNO/c1-10(18)15(11-5-7-12(16)8-6-11)19-14-4-2-3-13(17)9-14/h2-10,15H,18H2,1H3.
What are the key properties of 1-(4-bromophenyl)-1-(3-fluorophenoxy)propan-2-amine?
1-(4-bromophenyl)-1-(3-fluorophenoxy)propan-2-amine has a molecular weight of 324.19 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-1-(3-fluorophenoxy)propan-2-amine is sourced from PubChem (CID 55015652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).