N-[[4-bromo-2-(5-bromo-2-fluorophenoxy)phenyl]methyl]ethanamine

C15H14Br2FNO — CID 114674405

IUPACN-[[4-bromo-2-(5-bromo-2-fluorophenoxy)phenyl]methyl]ethanamine
SMILESCCNCc1ccc(Br)cc1Oc1cc(Br)ccc1F
InChIInChI=1S/C15H14Br2FNO/c1-2-19-9-10-3-4-11(16)7-14(10)20-15-8-12(17)5-6-13(15)18/h3-8,19H,2,9H2,1H3
InChIKeyCZAWJVAHJMLWMD-UHFFFAOYSA-N
MW403.09 g/mol
LogP5.25
Rot. Bonds5

About N-[[4-bromo-2-(5-bromo-2-fluorophenoxy)phenyl]methyl]ethanamine

N-[[4-bromo-2-(5-bromo-2-fluorophenoxy)phenyl]methyl]ethanamine (PubChem CID 114674405) has the molecular formula C15H14Br2FNO and a molecular weight of 403.09 g/mol. Its IUPAC name is N-[[4-bromo-2-(5-bromo-2-fluorophenoxy)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-bromo-2-(5-bromo-2-fluorophenoxy)phenyl]methyl]ethanamine
PubChem CID114674405
Molecular FormulaC15H14Br2FNO
Molecular Weight403.09 g/mol
Exact Mass400.94
IUPAC NameN-[[4-bromo-2-(5-bromo-2-fluorophenoxy)phenyl]methyl]ethanamine
SMILESCCNCc1ccc(Br)cc1Oc1cc(Br)ccc1F
InChIInChI=1S/C15H14Br2FNO/c1-2-19-9-10-3-4-11(16)7-14(10)20-15-8-12(17)5-6-13(15)18/h3-8,19H,2,9H2,1H3
InChIKeyCZAWJVAHJMLWMD-UHFFFAOYSA-N
XLogP5.25
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.09
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[4-bromo-2-(5-bromo-2-fluorophenoxy)phenyl]methyl]ethanamine with MolForge

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Related Compounds

N-[[2-[(5-bromo-2-fluorophenoxy)methyl]phenyl]methyl]ethanamine
CID 114676831
N-[(4-bromo-2-fluorophenyl)methyl]ethanamine;ethane
CID 143672674
N-[[2-(5-bromo-2-fluorophenoxy)phenyl]methyl]-2-methoxyethanamine
CID 114674371
N-[[5-(5-bromo-2-fluorophenoxy)-3-pyridinyl]methyl]ethanamine
CID 114674259
1-[4-bromo-2-(5-bromo-2-fluorophenoxy)phenyl]propan-2-amine
CID 114677140
N-[[4-chloro-2-(2,4-difluorophenoxy)phenyl]methyl]ethanamine
CID 114855205
N-[[2-(4-bromo-3-fluorophenoxy)-4-chlorophenyl]methyl]ethanamine
CID 114857494
N-[[4-bromo-2-(4-fluorophenoxy)phenyl]methyl]propan-1-amine
CID 43283161
N-[[4-bromo-2-(3-propan-2-ylphenoxy)phenyl]methyl]ethanamine
CID 43282741
1-[2-(5-bromo-2-fluorophenoxy)-5-fluorophenyl]-N-methylmethanamine
CID 114674362
N-[[4-chloro-2-(3-chloro-4-fluorophenoxy)phenyl]methyl]ethanamine
CID 114857375
1-[4-(5-bromo-2-fluorophenoxy)-3-fluorophenyl]-N-methylmethanamine
CID 114674328

Frequently Asked Questions

What is the IUPAC name of N-[[4-bromo-2-(5-bromo-2-fluorophenoxy)phenyl]methyl]ethanamine?
The IUPAC name of N-[[4-bromo-2-(5-bromo-2-fluorophenoxy)phenyl]methyl]ethanamine (CID 114674405) is N-[[4-bromo-2-(5-bromo-2-fluorophenoxy)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[4-bromo-2-(5-bromo-2-fluorophenoxy)phenyl]methyl]ethanamine?
The canonical SMILES for N-[[4-bromo-2-(5-bromo-2-fluorophenoxy)phenyl]methyl]ethanamine is CCNCc1ccc(Br)cc1Oc1cc(Br)ccc1F.
What is the InChIKey of N-[[4-bromo-2-(5-bromo-2-fluorophenoxy)phenyl]methyl]ethanamine?
The InChIKey is CZAWJVAHJMLWMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Br2FNO/c1-2-19-9-10-3-4-11(16)7-14(10)20-15-8-12(17)5-6-13(15)18/h3-8,19H,2,9H2,1H3.
What are the key properties of N-[[4-bromo-2-(5-bromo-2-fluorophenoxy)phenyl]methyl]ethanamine?
N-[[4-bromo-2-(5-bromo-2-fluorophenoxy)phenyl]methyl]ethanamine has a molecular weight of 403.09 g/mol, XLogP of 5.25, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-bromo-2-(5-bromo-2-fluorophenoxy)phenyl]methyl]ethanamine is sourced from PubChem (CID 114674405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).