1-[(4-bromophenyl)methoxy]-1-(2-fluorophenyl)propan-2-amine

C16H17BrFNO — CID 82828300

IUPAC1-[(4-bromophenyl)methoxy]-1-(2-fluorophenyl)propan-2-amine
SMILESCC(N)C(OCc1ccc(Br)cc1)c1ccccc1F
InChIInChI=1S/C16H17BrFNO/c1-11(19)16(14-4-2-3-5-15(14)18)20-10-12-6-8-13(17)9-7-12/h2-9,11,16H,10,19H2,1H3
InChIKeyMCYKTNFYFIVHFK-UHFFFAOYSA-N
MW338.22 g/mol
LogP4.19
Rot. Bonds5

About 1-[(4-bromophenyl)methoxy]-1-(2-fluorophenyl)propan-2-amine

1-[(4-bromophenyl)methoxy]-1-(2-fluorophenyl)propan-2-amine (PubChem CID 82828300) has the molecular formula C16H17BrFNO and a molecular weight of 338.22 g/mol. Its IUPAC name is 1-[(4-bromophenyl)methoxy]-1-(2-fluorophenyl)propan-2-amine.

Molecular Properties

Compound Name1-[(4-bromophenyl)methoxy]-1-(2-fluorophenyl)propan-2-amine
PubChem CID82828300
Molecular FormulaC16H17BrFNO
Molecular Weight338.22 g/mol
Exact Mass337.05
IUPAC Name1-[(4-bromophenyl)methoxy]-1-(2-fluorophenyl)propan-2-amine
SMILESCC(N)C(OCc1ccc(Br)cc1)c1ccccc1F
InChIInChI=1S/C16H17BrFNO/c1-11(19)16(14-4-2-3-5-15(14)18)20-10-12-6-8-13(17)9-7-12/h2-9,11,16H,10,19H2,1H3
InChIKeyMCYKTNFYFIVHFK-UHFFFAOYSA-N
XLogP4.19
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.22
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-ethylbutoxy)-1-(2-fluorophenyl)propan-2-amine
CID 114208275
1-(2-fluorophenyl)-1-(4-methylpentoxy)propan-2-amine
CID 55018505
1-[(4-bromophenyl)methoxy]-1-pyridin-4-ylpropan-2-amine
CID 82828548
1-[2-[(4-bromophenyl)methoxy]phenyl]ethanamine
CID 60879192
1-(cyclohexylmethoxy)-1-(2-fluorophenyl)propan-2-amine
CID 62383305
1-(2-fluorophenyl)-1-trimethylsilyloxypropan-2-amine
CID 112548408
N-[(4-bromophenyl)methyl]-1-(2-fluorophenyl)ethanamine
CID 60659010
1-(4-bromophenyl)-1-[(3-bromophenyl)methoxy]propan-2-amine
CID 82828472
(1S)-1-[2-[(4-bromophenyl)methoxy]-6-fluorophenyl]ethanamine
CID 82823809
4-bromo-2-fluoro-1-(1-phenylmethoxyethyl)benzene
CID 139652718
1-(2-fluorophenyl)-1-[(2-fluorophenyl)methoxy]butan-2-amine
CID 63934055
(1S)-1-(2-fluorophenyl)ethanamine;hydrochloride
CID 45072320

Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromophenyl)methoxy]-1-(2-fluorophenyl)propan-2-amine?
The IUPAC name of 1-[(4-bromophenyl)methoxy]-1-(2-fluorophenyl)propan-2-amine (CID 82828300) is 1-[(4-bromophenyl)methoxy]-1-(2-fluorophenyl)propan-2-amine.
What is the SMILES notation for 1-[(4-bromophenyl)methoxy]-1-(2-fluorophenyl)propan-2-amine?
The canonical SMILES for 1-[(4-bromophenyl)methoxy]-1-(2-fluorophenyl)propan-2-amine is CC(N)C(OCc1ccc(Br)cc1)c1ccccc1F.
What is the InChIKey of 1-[(4-bromophenyl)methoxy]-1-(2-fluorophenyl)propan-2-amine?
The InChIKey is MCYKTNFYFIVHFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrFNO/c1-11(19)16(14-4-2-3-5-15(14)18)20-10-12-6-8-13(17)9-7-12/h2-9,11,16H,10,19H2,1H3.
What are the key properties of 1-[(4-bromophenyl)methoxy]-1-(2-fluorophenyl)propan-2-amine?
1-[(4-bromophenyl)methoxy]-1-(2-fluorophenyl)propan-2-amine has a molecular weight of 338.22 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromophenyl)methoxy]-1-(2-fluorophenyl)propan-2-amine is sourced from PubChem (CID 82828300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).