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

C16H17BrFNO — CID 60908405

IUPAC1-[4-[(2-bromo-4-fluorophenyl)methoxy]phenyl]propan-2-amine
SMILESCC(N)Cc1ccc(OCc2ccc(F)cc2Br)cc1
InChIInChI=1S/C16H17BrFNO/c1-11(19)8-12-2-6-15(7-3-12)20-10-13-4-5-14(18)9-16(13)17/h2-7,9,11H,8,10,19H2,1H3
InChIKeyUKNSCLDTNKVJOV-UHFFFAOYSA-N
MW338.22 g/mol
LogP4.06
Rot. Bonds5

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

1-[4-[(2-bromo-4-fluorophenyl)methoxy]phenyl]propan-2-amine (PubChem CID 60908405) has the molecular formula C16H17BrFNO and a molecular weight of 338.22 g/mol. Its IUPAC name is 1-[4-[(2-bromo-4-fluorophenyl)methoxy]phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[4-[(2-bromo-4-fluorophenyl)methoxy]phenyl]propan-2-amine
PubChem CID60908405
Molecular FormulaC16H17BrFNO
Molecular Weight338.22 g/mol
Exact Mass337.05
IUPAC Name1-[4-[(2-bromo-4-fluorophenyl)methoxy]phenyl]propan-2-amine
SMILESCC(N)Cc1ccc(OCc2ccc(F)cc2Br)cc1
InChIInChI=1S/C16H17BrFNO/c1-11(19)8-12-2-6-15(7-3-12)20-10-13-4-5-14(18)9-16(13)17/h2-7,9,11H,8,10,19H2,1H3
InChIKeyUKNSCLDTNKVJOV-UHFFFAOYSA-N
XLogP4.06
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 ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-bromo-4-[(2-bromo-4-fluorophenyl)methoxy]phenyl]propan-2-amine
CID 63421985
(1S)-1-[4-[(2-bromo-4-fluorophenyl)methoxy]phenyl]ethanamine
CID 78933004
1-[2-[(2-bromo-4-fluorophenyl)methoxy]-3-fluorophenyl]propan-2-amine
CID 115958703
2-bromo-1-[(4-chlorophenoxy)methyl]-4-fluorobenzene
CID 63457531
N-[[3-bromo-4-[(4-fluorophenoxy)methyl]phenyl]methyl]propan-2-amine
CID 102773044
(1R)-1-[4-[(2-bromo-4-fluorophenyl)methoxy]phenyl]propan-1-ol
CID 63365654
1-[3-[(2-bromo-4-fluorophenyl)methoxy]-6-methyl-2-pyridinyl]propan-2-amine
CID 79164686
1-[(2-bromo-4-fluorophenyl)methoxy]-3,5-dimethylbenzene
CID 55192230
1-[4-[(3-chloro-2-fluorophenyl)methoxy]phenyl]propan-2-amine
CID 102855814
2-bromo-1-[(2,6-difluorophenoxy)methyl]-4-fluorobenzene
CID 113220141
1-[4-[(2-bromophenyl)methoxy]-3,5-difluorophenyl]propan-2-amine
CID 79882528
1-[4-[(2-bromo-4-fluorophenyl)methoxy]-2-fluorophenyl]-N-methylethanamine
CID 107716998

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2-bromo-4-fluorophenyl)methoxy]phenyl]propan-2-amine?
The IUPAC name of 1-[4-[(2-bromo-4-fluorophenyl)methoxy]phenyl]propan-2-amine (CID 60908405) is 1-[4-[(2-bromo-4-fluorophenyl)methoxy]phenyl]propan-2-amine.
What is the SMILES notation for 1-[4-[(2-bromo-4-fluorophenyl)methoxy]phenyl]propan-2-amine?
The canonical SMILES for 1-[4-[(2-bromo-4-fluorophenyl)methoxy]phenyl]propan-2-amine is CC(N)Cc1ccc(OCc2ccc(F)cc2Br)cc1.
What is the InChIKey of 1-[4-[(2-bromo-4-fluorophenyl)methoxy]phenyl]propan-2-amine?
The InChIKey is UKNSCLDTNKVJOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrFNO/c1-11(19)8-12-2-6-15(7-3-12)20-10-13-4-5-14(18)9-16(13)17/h2-7,9,11H,8,10,19H2,1H3.
What are the key properties of 1-[4-[(2-bromo-4-fluorophenyl)methoxy]phenyl]propan-2-amine?
1-[4-[(2-bromo-4-fluorophenyl)methoxy]phenyl]propan-2-amine has a molecular weight of 338.22 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2-bromo-4-fluorophenyl)methoxy]phenyl]propan-2-amine is sourced from PubChem (CID 60908405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).