[2-[(2-bromo-4-fluorophenyl)methoxy]-4-methoxyphenyl]methanamine

C15H15BrFNO2 — CID 61267594

IUPAC[2-[(2-bromo-4-fluorophenyl)methoxy]-4-methoxyphenyl]methanamine
SMILESCOc1ccc(CN)c(OCc2ccc(F)cc2Br)c1
InChIInChI=1S/C15H15BrFNO2/c1-19-13-5-3-10(8-18)15(7-13)20-9-11-2-4-12(17)6-14(11)16/h2-7H,8-9,18H2,1H3
InChIKeyZRKCLQTYGLPJFK-UHFFFAOYSA-N
MW340.19 g/mol
LogP3.63
Rot. Bonds5

About [2-[(2-bromo-4-fluorophenyl)methoxy]-4-methoxyphenyl]methanamine

[2-[(2-bromo-4-fluorophenyl)methoxy]-4-methoxyphenyl]methanamine (PubChem CID 61267594) has the molecular formula C15H15BrFNO2 and a molecular weight of 340.19 g/mol. Its IUPAC name is [2-[(2-bromo-4-fluorophenyl)methoxy]-4-methoxyphenyl]methanamine.

Molecular Properties

Compound Name[2-[(2-bromo-4-fluorophenyl)methoxy]-4-methoxyphenyl]methanamine
PubChem CID61267594
Molecular FormulaC15H15BrFNO2
Molecular Weight340.19 g/mol
Exact Mass339.03
IUPAC Name[2-[(2-bromo-4-fluorophenyl)methoxy]-4-methoxyphenyl]methanamine
SMILESCOc1ccc(CN)c(OCc2ccc(F)cc2Br)c1
InChIInChI=1S/C15H15BrFNO2/c1-19-13-5-3-10(8-18)15(7-13)20-9-11-2-4-12(17)6-14(11)16/h2-7H,8-9,18H2,1H3
InChIKeyZRKCLQTYGLPJFK-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

Analyze [2-[(2-bromo-4-fluorophenyl)methoxy]-4-methoxyphenyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-[(2-bromo-4-methoxyphenoxy)methyl]-4-fluorophenyl]methanamine
CID 104706865
1-[(2-bromo-4-fluorophenyl)methoxy]-4-methoxy-2-nitrobenzene
CID 42103728
[2-[(3,4-difluorophenyl)methoxy]-4-methoxyphenyl]methanamine
CID 82918459
[3-bromo-4-[(2-bromo-4-fluorophenyl)methoxy]-5-methoxyphenyl]methanamine
CID 60887919
[2-(5-fluoro-2-methylphenoxy)-4-methoxyphenyl]methanamine
CID 102980112
2-[(2-bromo-5-methoxyphenyl)methoxy]-5-fluoroaniline
CID 65322510
1-bromo-2-[(5-fluoro-2-methylphenoxy)methyl]-4-methoxybenzene
CID 102983162
2-[(2-bromo-4-methoxyphenoxy)methyl]-4-fluorobenzonitrile
CID 104704645
[2-(3,5-difluorophenoxy)-4-methoxyphenyl]methanamine
CID 81299926
[4-methoxy-2-[(2,4,6-trimethylphenyl)methoxy]phenyl]methanamine
CID 62543773
2-[5-fluoro-2-[(2-fluoro-4-methoxyphenyl)methoxy]phenyl]ethanamine
CID 107700182
(1S)-1-[4-[(2-bromo-4-fluorophenyl)methoxy]phenyl]ethanamine
CID 78933004

Frequently Asked Questions

What is the IUPAC name of [2-[(2-bromo-4-fluorophenyl)methoxy]-4-methoxyphenyl]methanamine?
The IUPAC name of [2-[(2-bromo-4-fluorophenyl)methoxy]-4-methoxyphenyl]methanamine (CID 61267594) is [2-[(2-bromo-4-fluorophenyl)methoxy]-4-methoxyphenyl]methanamine.
What is the SMILES notation for [2-[(2-bromo-4-fluorophenyl)methoxy]-4-methoxyphenyl]methanamine?
The canonical SMILES for [2-[(2-bromo-4-fluorophenyl)methoxy]-4-methoxyphenyl]methanamine is COc1ccc(CN)c(OCc2ccc(F)cc2Br)c1.
What is the InChIKey of [2-[(2-bromo-4-fluorophenyl)methoxy]-4-methoxyphenyl]methanamine?
The InChIKey is ZRKCLQTYGLPJFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFNO2/c1-19-13-5-3-10(8-18)15(7-13)20-9-11-2-4-12(17)6-14(11)16/h2-7H,8-9,18H2,1H3.
What are the key properties of [2-[(2-bromo-4-fluorophenyl)methoxy]-4-methoxyphenyl]methanamine?
[2-[(2-bromo-4-fluorophenyl)methoxy]-4-methoxyphenyl]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-fluorophenyl)methoxy]-4-methoxyphenyl]methanamine is sourced from PubChem (CID 61267594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).