1-[2-[(2-bromo-4-fluorophenyl)methoxy]-3-fluorophenyl]propan-2-amine

C16H16BrF2NO — CID 115958703

IUPAC1-[2-[(2-bromo-4-fluorophenyl)methoxy]-3-fluorophenyl]propan-2-amine
SMILESCC(N)Cc1cccc(F)c1OCc1ccc(F)cc1Br
InChIInChI=1S/C16H16BrF2NO/c1-10(20)7-11-3-2-4-15(19)16(11)21-9-12-5-6-13(18)8-14(12)17/h2-6,8,10H,7,9,20H2,1H3
InChIKeyGTIGUYDWBVYAMR-UHFFFAOYSA-N
MW356.21 g/mol
LogP4.20
Rot. Bonds5

About 1-[2-[(2-bromo-4-fluorophenyl)methoxy]-3-fluorophenyl]propan-2-amine

1-[2-[(2-bromo-4-fluorophenyl)methoxy]-3-fluorophenyl]propan-2-amine (PubChem CID 115958703) has the molecular formula C16H16BrF2NO and a molecular weight of 356.21 g/mol. Its IUPAC name is 1-[2-[(2-bromo-4-fluorophenyl)methoxy]-3-fluorophenyl]propan-2-amine.

Molecular Properties

Compound Name1-[2-[(2-bromo-4-fluorophenyl)methoxy]-3-fluorophenyl]propan-2-amine
PubChem CID115958703
Molecular FormulaC16H16BrF2NO
Molecular Weight356.21 g/mol
Exact Mass355.04
IUPAC Name1-[2-[(2-bromo-4-fluorophenyl)methoxy]-3-fluorophenyl]propan-2-amine
SMILESCC(N)Cc1cccc(F)c1OCc1ccc(F)cc1Br
InChIInChI=1S/C16H16BrF2NO/c1-10(20)7-11-3-2-4-15(19)16(11)21-9-12-5-6-13(18)8-14(12)17/h2-6,8,10H,7,9,20H2,1H3
InChIKeyGTIGUYDWBVYAMR-UHFFFAOYSA-N
XLogP4.20
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.21
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-[(2,4-difluorophenyl)methoxy]-3-fluorophenyl]propan-2-amine
CID 115958685
2-bromo-1-[(2,6-difluorophenoxy)methyl]-4-fluorobenzene
CID 113220141
1-[3-fluoro-2-[(4-fluorophenyl)methoxy]phenyl]propan-2-amine
CID 115958647
1-[2-[(4-chloro-2-fluorophenyl)methoxy]-3-fluorophenyl]propan-2-amine
CID 114857545
1-[4-[(2-bromo-4-fluorophenyl)methoxy]phenyl]propan-2-amine
CID 60908405
1-[3-bromo-4-[(2-bromo-4-fluorophenyl)methoxy]phenyl]propan-2-amine
CID 63421985
1-[4-[(2-bromophenyl)methoxy]-3,5-difluorophenyl]propan-2-amine
CID 79882528
1-[2-[(2-bromophenyl)methoxy]-3-fluorophenyl]butan-2-amine
CID 115958837
1-bromo-2-[(2-bromo-4-fluorophenyl)methoxy]-3-(bromomethyl)benzene
CID 63535034
1-[3-fluoro-2-[(3-methoxyphenyl)methoxy]phenyl]propan-2-amine
CID 115958705
1-[3-fluoro-2-(thiophen-2-ylmethoxy)phenyl]propan-2-amine
CID 112615919
1-[2-[(2,3-difluorophenyl)methoxy]-3-methylphenyl]propan-2-amine
CID 115958090

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-bromo-4-fluorophenyl)methoxy]-3-fluorophenyl]propan-2-amine?
The IUPAC name of 1-[2-[(2-bromo-4-fluorophenyl)methoxy]-3-fluorophenyl]propan-2-amine (CID 115958703) is 1-[2-[(2-bromo-4-fluorophenyl)methoxy]-3-fluorophenyl]propan-2-amine.
What is the SMILES notation for 1-[2-[(2-bromo-4-fluorophenyl)methoxy]-3-fluorophenyl]propan-2-amine?
The canonical SMILES for 1-[2-[(2-bromo-4-fluorophenyl)methoxy]-3-fluorophenyl]propan-2-amine is CC(N)Cc1cccc(F)c1OCc1ccc(F)cc1Br.
What is the InChIKey of 1-[2-[(2-bromo-4-fluorophenyl)methoxy]-3-fluorophenyl]propan-2-amine?
The InChIKey is GTIGUYDWBVYAMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrF2NO/c1-10(20)7-11-3-2-4-15(19)16(11)21-9-12-5-6-13(18)8-14(12)17/h2-6,8,10H,7,9,20H2,1H3.
What are the key properties of 1-[2-[(2-bromo-4-fluorophenyl)methoxy]-3-fluorophenyl]propan-2-amine?
1-[2-[(2-bromo-4-fluorophenyl)methoxy]-3-fluorophenyl]propan-2-amine has a molecular weight of 356.21 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-bromo-4-fluorophenyl)methoxy]-3-fluorophenyl]propan-2-amine is sourced from PubChem (CID 115958703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).