[2-[(2-bromo-4-methoxyphenoxy)methyl]-4-fluorophenyl]methanamine

C15H15BrFNO2 — CID 104706865

IUPAC[2-[(2-bromo-4-methoxyphenoxy)methyl]-4-fluorophenyl]methanamine
SMILESCOc1ccc(OCc2cc(F)ccc2CN)c(Br)c1
InChIInChI=1S/C15H15BrFNO2/c1-19-13-4-5-15(14(16)7-13)20-9-11-6-12(17)3-2-10(11)8-18/h2-7H,8-9,18H2,1H3
InChIKeyQLSRJLLSHLAOOV-UHFFFAOYSA-N
MW340.19 g/mol
LogP3.63
Rot. Bonds5

About [2-[(2-bromo-4-methoxyphenoxy)methyl]-4-fluorophenyl]methanamine

[2-[(2-bromo-4-methoxyphenoxy)methyl]-4-fluorophenyl]methanamine (PubChem CID 104706865) has the molecular formula C15H15BrFNO2 and a molecular weight of 340.19 g/mol. Its IUPAC name is [2-[(2-bromo-4-methoxyphenoxy)methyl]-4-fluorophenyl]methanamine.

Molecular Properties

Compound Name[2-[(2-bromo-4-methoxyphenoxy)methyl]-4-fluorophenyl]methanamine
PubChem CID104706865
Molecular FormulaC15H15BrFNO2
Molecular Weight340.19 g/mol
Exact Mass339.03
IUPAC Name[2-[(2-bromo-4-methoxyphenoxy)methyl]-4-fluorophenyl]methanamine
SMILESCOc1ccc(OCc2cc(F)ccc2CN)c(Br)c1
InChIInChI=1S/C15H15BrFNO2/c1-19-13-4-5-15(14(16)7-13)20-9-11-6-12(17)3-2-10(11)8-18/h2-7H,8-9,18H2,1H3
InChIKeyQLSRJLLSHLAOOV-UHFFFAOYSA-N
XLogP3.63
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.19
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[(2-bromo-4-fluorophenyl)methoxy]-4-methoxyphenyl]methanamine
CID 61267594
2-[(2-bromo-4-methoxyphenoxy)methyl]-4-fluorobenzonitrile
CID 104704645
2-[(2-bromo-5-methoxyphenyl)methoxy]-5-fluoroaniline
CID 65322510
2-[5-fluoro-2-[(2-fluoro-4-methoxyphenyl)methoxy]phenyl]ethanamine
CID 107700182
[4-fluoro-2-[(2-methylphenoxy)methyl]phenyl]methanamine
CID 64763729
3-[(2-bromo-4-fluorophenoxy)methyl]-4-methoxyaniline
CID 43247179
2-bromo-1-[(5-bromo-2-fluorophenyl)methoxy]-4-methoxybenzene
CID 104707288
[2-[(2,4-dimethylphenoxy)methyl]-4-fluorophenyl]methanamine
CID 64765020
[2-[(5-bromo-2,3-difluorophenoxy)methyl]-4-fluorophenyl]methanamine
CID 107097834
1-bromo-2-[(5-fluoro-2-methylphenoxy)methyl]-4-methoxybenzene
CID 102983162
(5-fluoro-2-methoxyphenyl)methanamine
CID 18348829
[3-[(2-bromo-4-methoxyphenoxy)methyl]-2-pyridinyl]methanamine
CID 104706871

Frequently Asked Questions

What is the IUPAC name of [2-[(2-bromo-4-methoxyphenoxy)methyl]-4-fluorophenyl]methanamine?
The IUPAC name of [2-[(2-bromo-4-methoxyphenoxy)methyl]-4-fluorophenyl]methanamine (CID 104706865) is [2-[(2-bromo-4-methoxyphenoxy)methyl]-4-fluorophenyl]methanamine.
What is the SMILES notation for [2-[(2-bromo-4-methoxyphenoxy)methyl]-4-fluorophenyl]methanamine?
The canonical SMILES for [2-[(2-bromo-4-methoxyphenoxy)methyl]-4-fluorophenyl]methanamine is COc1ccc(OCc2cc(F)ccc2CN)c(Br)c1.
What is the InChIKey of [2-[(2-bromo-4-methoxyphenoxy)methyl]-4-fluorophenyl]methanamine?
The InChIKey is QLSRJLLSHLAOOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFNO2/c1-19-13-4-5-15(14(16)7-13)20-9-11-6-12(17)3-2-10(11)8-18/h2-7H,8-9,18H2,1H3.
What are the key properties of [2-[(2-bromo-4-methoxyphenoxy)methyl]-4-fluorophenyl]methanamine?
[2-[(2-bromo-4-methoxyphenoxy)methyl]-4-fluorophenyl]methanamine has a molecular weight of 340.19 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-bromo-4-methoxyphenoxy)methyl]-4-fluorophenyl]methanamine is sourced from PubChem (CID 104706865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).