[2-[(5-bromo-2,3-difluorophenoxy)methyl]-4-fluorophenyl]methanamine

C14H11BrF3NO — CID 107097834

IUPAC[2-[(5-bromo-2,3-difluorophenoxy)methyl]-4-fluorophenyl]methanamine
SMILESNCc1ccc(F)cc1COc1cc(Br)cc(F)c1F
InChIInChI=1S/C14H11BrF3NO/c15-10-4-12(17)14(18)13(5-10)20-7-9-3-11(16)2-1-8(9)6-19/h1-5H,6-7,19H2
InChIKeyIDANENICZDYKFV-UHFFFAOYSA-N
MW346.15 g/mol
LogP3.90
Rot. Bonds4

About [2-[(5-bromo-2,3-difluorophenoxy)methyl]-4-fluorophenyl]methanamine

[2-[(5-bromo-2,3-difluorophenoxy)methyl]-4-fluorophenyl]methanamine (PubChem CID 107097834) has the molecular formula C14H11BrF3NO and a molecular weight of 346.15 g/mol. Its IUPAC name is [2-[(5-bromo-2,3-difluorophenoxy)methyl]-4-fluorophenyl]methanamine.

Molecular Properties

Compound Name[2-[(5-bromo-2,3-difluorophenoxy)methyl]-4-fluorophenyl]methanamine
PubChem CID107097834
Molecular FormulaC14H11BrF3NO
Molecular Weight346.15 g/mol
Exact Mass345.00
IUPAC Name[2-[(5-bromo-2,3-difluorophenoxy)methyl]-4-fluorophenyl]methanamine
SMILESNCc1ccc(F)cc1COc1cc(Br)cc(F)c1F
InChIInChI=1S/C14H11BrF3NO/c15-10-4-12(17)14(18)13(5-10)20-7-9-3-11(16)2-1-8(9)6-19/h1-5H,6-7,19H2
InChIKeyIDANENICZDYKFV-UHFFFAOYSA-N
XLogP3.90
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.15
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [2-[(5-bromo-2,3-difluorophenoxy)methyl]-4-fluorophenyl]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-[(5-bromo-2,3-difluorophenoxy)methyl]-5-fluorobenzenecarbothioamide
CID 107098447
[5-[(5-bromo-2,3-difluorophenoxy)methyl]-2-fluorophenyl]methanamine
CID 107879103
5-bromo-1-[(4-chloro-2-fluorophenyl)methoxy]-2,3-difluorobenzene
CID 107098658
[2-[(2-bromo-4-methoxyphenoxy)methyl]-4-fluorophenyl]methanamine
CID 104706865
[4-fluoro-2-[(2-methylphenoxy)methyl]phenyl]methanamine
CID 64763729
[2-(5-bromo-2,3-difluorophenoxy)-5-fluorophenyl]methanol
CID 107100165
[2-[(4-bromo-2-chlorophenyl)methoxy]-5-fluorophenyl]methanamine
CID 107694697
[2-[(4-bromophenoxy)methyl]-5-fluorophenyl]methanamine
CID 63289311
5-bromo-1-[(2,5-dimethylphenyl)methoxy]-2,3-difluorobenzene
CID 107098576
[2-[(2,4-dimethylphenoxy)methyl]-4-fluorophenyl]methanamine
CID 64765020
5-bromo-1-[(3-chloro-2-fluorophenyl)methoxy]-2,3-difluorobenzene
CID 107098749
[2-[(4-bromo-2-fluorophenoxy)methyl]phenyl]methanamine
CID 43531303

Frequently Asked Questions

What is the IUPAC name of [2-[(5-bromo-2,3-difluorophenoxy)methyl]-4-fluorophenyl]methanamine?
The IUPAC name of [2-[(5-bromo-2,3-difluorophenoxy)methyl]-4-fluorophenyl]methanamine (CID 107097834) is [2-[(5-bromo-2,3-difluorophenoxy)methyl]-4-fluorophenyl]methanamine.
What is the SMILES notation for [2-[(5-bromo-2,3-difluorophenoxy)methyl]-4-fluorophenyl]methanamine?
The canonical SMILES for [2-[(5-bromo-2,3-difluorophenoxy)methyl]-4-fluorophenyl]methanamine is NCc1ccc(F)cc1COc1cc(Br)cc(F)c1F.
What is the InChIKey of [2-[(5-bromo-2,3-difluorophenoxy)methyl]-4-fluorophenyl]methanamine?
The InChIKey is IDANENICZDYKFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrF3NO/c15-10-4-12(17)14(18)13(5-10)20-7-9-3-11(16)2-1-8(9)6-19/h1-5H,6-7,19H2.
What are the key properties of [2-[(5-bromo-2,3-difluorophenoxy)methyl]-4-fluorophenyl]methanamine?
[2-[(5-bromo-2,3-difluorophenoxy)methyl]-4-fluorophenyl]methanamine has a molecular weight of 346.15 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(5-bromo-2,3-difluorophenoxy)methyl]-4-fluorophenyl]methanamine is sourced from PubChem (CID 107097834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).