2-[2-[(3-bromo-2,6-difluorophenyl)methoxy]phenyl]ethanamine

C15H14BrF2NO — CID 106269112

IUPAC2-[2-[(3-bromo-2,6-difluorophenyl)methoxy]phenyl]ethanamine
SMILESNCCc1ccccc1OCc1c(F)ccc(Br)c1F
InChIInChI=1S/C15H14BrF2NO/c16-12-5-6-13(17)11(15(12)18)9-20-14-4-2-1-3-10(14)7-8-19/h1-6H,7-9,19H2
InChIKeyKDDQTHWCNNIOPN-UHFFFAOYSA-N
MW342.18 g/mol
LogP3.81
Rot. Bonds5

About 2-[2-[(3-bromo-2,6-difluorophenyl)methoxy]phenyl]ethanamine

2-[2-[(3-bromo-2,6-difluorophenyl)methoxy]phenyl]ethanamine (PubChem CID 106269112) has the molecular formula C15H14BrF2NO and a molecular weight of 342.18 g/mol. Its IUPAC name is 2-[2-[(3-bromo-2,6-difluorophenyl)methoxy]phenyl]ethanamine.

Molecular Properties

Compound Name2-[2-[(3-bromo-2,6-difluorophenyl)methoxy]phenyl]ethanamine
PubChem CID106269112
Molecular FormulaC15H14BrF2NO
Molecular Weight342.18 g/mol
Exact Mass341.02
IUPAC Name2-[2-[(3-bromo-2,6-difluorophenyl)methoxy]phenyl]ethanamine
SMILESNCCc1ccccc1OCc1c(F)ccc(Br)c1F
InChIInChI=1S/C15H14BrF2NO/c16-12-5-6-13(17)11(15(12)18)9-20-14-4-2-1-3-10(14)7-8-19/h1-6H,7-9,19H2
InChIKeyKDDQTHWCNNIOPN-UHFFFAOYSA-N
XLogP3.81
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.18
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1-[2-[(3-bromo-2,6-difluorophenyl)methoxy]phenyl]propan-2-amine
CID 106269159
2-[2-[(3-bromo-2,6-difluorophenyl)methoxy]-6-chlorophenyl]ethanamine
CID 106269272
2-bromo-3-[(3-bromo-2,6-difluorophenyl)methoxy]aniline
CID 106262844
[3-bromo-2-[(3-bromo-2,6-difluorophenyl)methoxy]phenyl]methanamine
CID 106262960
3-[(3-bromo-2,6-difluorophenyl)methoxy]-2-methylaniline
CID 106262816
1-[2-[(3-bromo-2,6-difluorophenyl)methoxy]phenyl]ethanone
CID 106264072
[3-bromo-4-[(3-bromo-2,6-difluorophenyl)methoxy]phenyl]methanamine
CID 106262966
[2-[(3-bromo-2,6-difluorophenyl)methoxy]-5-chlorophenyl]methanol
CID 106264375
1-bromo-3-[(5-bromo-2,3-difluorophenoxy)methyl]-2,4-difluorobenzene
CID 106264121
1-bromo-3-[[2-bromo-6-(chloromethyl)phenoxy]methyl]-2,4-difluorobenzene
CID 106264501
1-bromo-3-[[2-bromo-6-(bromomethyl)phenoxy]methyl]-2,4-difluorobenzene
CID 106264502
[2-[(3-bromo-2,6-difluorophenyl)methoxy]-3-methoxyphenyl]methanol
CID 106264377

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3-bromo-2,6-difluorophenyl)methoxy]phenyl]ethanamine?
The IUPAC name of 2-[2-[(3-bromo-2,6-difluorophenyl)methoxy]phenyl]ethanamine (CID 106269112) is 2-[2-[(3-bromo-2,6-difluorophenyl)methoxy]phenyl]ethanamine.
What is the SMILES notation for 2-[2-[(3-bromo-2,6-difluorophenyl)methoxy]phenyl]ethanamine?
The canonical SMILES for 2-[2-[(3-bromo-2,6-difluorophenyl)methoxy]phenyl]ethanamine is NCCc1ccccc1OCc1c(F)ccc(Br)c1F.
What is the InChIKey of 2-[2-[(3-bromo-2,6-difluorophenyl)methoxy]phenyl]ethanamine?
The InChIKey is KDDQTHWCNNIOPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrF2NO/c16-12-5-6-13(17)11(15(12)18)9-20-14-4-2-1-3-10(14)7-8-19/h1-6H,7-9,19H2.
What are the key properties of 2-[2-[(3-bromo-2,6-difluorophenyl)methoxy]phenyl]ethanamine?
2-[2-[(3-bromo-2,6-difluorophenyl)methoxy]phenyl]ethanamine has a molecular weight of 342.18 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3-bromo-2,6-difluorophenyl)methoxy]phenyl]ethanamine is sourced from PubChem (CID 106269112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).