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

C16H17BrFNO2 — CID 114674371

IUPACN-[[2-(5-bromo-2-fluorophenoxy)phenyl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1ccccc1Oc1cc(Br)ccc1F
InChIInChI=1S/C16H17BrFNO2/c1-20-9-8-19-11-12-4-2-3-5-15(12)21-16-10-13(17)6-7-14(16)18/h2-7,10,19H,8-9,11H2,1H3
InChIKeyIXXVMHRZBDWQOJ-UHFFFAOYSA-N
MW354.22 g/mol
LogP4.12
Rot. Bonds7

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

N-[[2-(5-bromo-2-fluorophenoxy)phenyl]methyl]-2-methoxyethanamine (PubChem CID 114674371) has the molecular formula C16H17BrFNO2 and a molecular weight of 354.22 g/mol. Its IUPAC name is N-[[2-(5-bromo-2-fluorophenoxy)phenyl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[2-(5-bromo-2-fluorophenoxy)phenyl]methyl]-2-methoxyethanamine
PubChem CID114674371
Molecular FormulaC16H17BrFNO2
Molecular Weight354.22 g/mol
Exact Mass353.04
IUPAC NameN-[[2-(5-bromo-2-fluorophenoxy)phenyl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1ccccc1Oc1cc(Br)ccc1F
InChIInChI=1S/C16H17BrFNO2/c1-20-9-8-19-11-12-4-2-3-5-15(12)21-16-10-13(17)6-7-14(16)18/h2-7,10,19H,8-9,11H2,1H3
InChIKeyIXXVMHRZBDWQOJ-UHFFFAOYSA-N
XLogP4.12
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.22
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[2-(2,3-difluorophenoxy)phenyl]methyl]-2-methoxyethanamine
CID 63070603
N-[[2-(4-bromo-2-fluorophenoxy)phenyl]methyl]propan-1-amine
CID 43283630
2-methoxy-N-[[2-(2-methoxyphenoxy)phenyl]methyl]ethanamine
CID 63071959
N-[[4-bromo-2-(4-chlorophenoxy)phenyl]methyl]-2-methoxyethanamine
CID 63552735
N-[[2-(3-fluoro-4-methylphenoxy)phenyl]methyl]-2-methoxyethanamine
CID 107169953
N-[[4-bromo-2-(5-bromo-2-fluorophenoxy)phenyl]methyl]ethanamine
CID 114674405
N-[[2-(5-bromo-2-methylphenoxy)phenyl]methyl]propan-1-amine
CID 107285188
N-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]-2-methoxyethanamine
CID 4720382
N-[(2-fluorophenyl)methyl]-2-methoxyethanamine;hydrochloride
CID 17294446
1-[2-(5-bromo-2-fluorophenoxy)-5-fluorophenyl]-N-methylmethanamine
CID 114674362
2-methoxy-N-[[2-(3-methoxypropoxy)phenyl]methyl]ethanamine
CID 55148747
1-[2-(5-bromo-2-fluorophenoxy)phenyl]butan-2-amine
CID 114677108

Frequently Asked Questions

What is the IUPAC name of N-[[2-(5-bromo-2-fluorophenoxy)phenyl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[2-(5-bromo-2-fluorophenoxy)phenyl]methyl]-2-methoxyethanamine (CID 114674371) is N-[[2-(5-bromo-2-fluorophenoxy)phenyl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[2-(5-bromo-2-fluorophenoxy)phenyl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[2-(5-bromo-2-fluorophenoxy)phenyl]methyl]-2-methoxyethanamine is COCCNCc1ccccc1Oc1cc(Br)ccc1F.
What is the InChIKey of N-[[2-(5-bromo-2-fluorophenoxy)phenyl]methyl]-2-methoxyethanamine?
The InChIKey is IXXVMHRZBDWQOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrFNO2/c1-20-9-8-19-11-12-4-2-3-5-15(12)21-16-10-13(17)6-7-14(16)18/h2-7,10,19H,8-9,11H2,1H3.
What are the key properties of N-[[2-(5-bromo-2-fluorophenoxy)phenyl]methyl]-2-methoxyethanamine?
N-[[2-(5-bromo-2-fluorophenoxy)phenyl]methyl]-2-methoxyethanamine has a molecular weight of 354.22 g/mol, XLogP of 4.12, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(5-bromo-2-fluorophenoxy)phenyl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 114674371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).