[2-(5-bromo-2-methylphenoxy)-6-fluorophenyl]methanamine

C14H13BrFNO — CID 107283243

IUPAC[2-(5-bromo-2-methylphenoxy)-6-fluorophenyl]methanamine
SMILESCc1ccc(Br)cc1Oc1cccc(F)c1CN
InChIInChI=1S/C14H13BrFNO/c1-9-5-6-10(15)7-14(9)18-13-4-2-3-12(16)11(13)8-17/h2-7H,8,17H2,1H3
InChIKeyRYMSUKIOGLIKFS-UHFFFAOYSA-N
MW310.17 g/mol
LogP4.15
Rot. Bonds3

About [2-(5-bromo-2-methylphenoxy)-6-fluorophenyl]methanamine

[2-(5-bromo-2-methylphenoxy)-6-fluorophenyl]methanamine (PubChem CID 107283243) has the molecular formula C14H13BrFNO and a molecular weight of 310.17 g/mol. Its IUPAC name is [2-(5-bromo-2-methylphenoxy)-6-fluorophenyl]methanamine.

Molecular Properties

Compound Name[2-(5-bromo-2-methylphenoxy)-6-fluorophenyl]methanamine
PubChem CID107283243
Molecular FormulaC14H13BrFNO
Molecular Weight310.17 g/mol
Exact Mass309.02
IUPAC Name[2-(5-bromo-2-methylphenoxy)-6-fluorophenyl]methanamine
SMILESCc1ccc(Br)cc1Oc1cccc(F)c1CN
InChIInChI=1S/C14H13BrFNO/c1-9-5-6-10(15)7-14(9)18-13-4-2-3-12(16)11(13)8-17/h2-7H,8,17H2,1H3
InChIKeyRYMSUKIOGLIKFS-UHFFFAOYSA-N
XLogP4.15
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.17
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [2-(5-bromo-2-methylphenoxy)-6-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-(2,5-dimethylphenoxy)-6-fluorophenyl]methanamine
CID 79516549
1-[2-(5-bromo-2-methylphenoxy)-6-fluorophenyl]ethanol
CID 107284910
[2-(2-bromophenoxy)-6-fluorophenyl]methanamine
CID 79517645
[2-fluoro-6-(2-fluorophenoxy)phenyl]methanamine
CID 79516548
[2-(2-bromo-4-chlorophenoxy)-6-fluorophenyl]methanamine
CID 79516224
[2-[(3-bromo-4-methyl-2-pyridinyl)oxy]-6-fluorophenyl]methanamine
CID 106878446
2-[4-(5-bromo-2-methylphenoxy)-3,5-difluorophenyl]ethanamine
CID 107286734
(2-fluoro-6-methoxyphenyl)methanamine
CID 40786958
[2-[(5-bromo-3-pyridinyl)oxy]-6-fluorophenyl]methanamine
CID 79516558
[2-(3,5-dimethoxyphenoxy)-6-fluorophenyl]methanamine
CID 79517647
[2-(5-bromo-2-fluorophenoxy)-4,6-dimethyl-3-pyridinyl]methanamine
CID 114671610
5-bromo-2-(5-fluoro-2-methylphenoxy)aniline
CID 102980259

Frequently Asked Questions

What is the IUPAC name of [2-(5-bromo-2-methylphenoxy)-6-fluorophenyl]methanamine?
The IUPAC name of [2-(5-bromo-2-methylphenoxy)-6-fluorophenyl]methanamine (CID 107283243) is [2-(5-bromo-2-methylphenoxy)-6-fluorophenyl]methanamine.
What is the SMILES notation for [2-(5-bromo-2-methylphenoxy)-6-fluorophenyl]methanamine?
The canonical SMILES for [2-(5-bromo-2-methylphenoxy)-6-fluorophenyl]methanamine is Cc1ccc(Br)cc1Oc1cccc(F)c1CN.
What is the InChIKey of [2-(5-bromo-2-methylphenoxy)-6-fluorophenyl]methanamine?
The InChIKey is RYMSUKIOGLIKFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrFNO/c1-9-5-6-10(15)7-14(9)18-13-4-2-3-12(16)11(13)8-17/h2-7H,8,17H2,1H3.
What are the key properties of [2-(5-bromo-2-methylphenoxy)-6-fluorophenyl]methanamine?
[2-(5-bromo-2-methylphenoxy)-6-fluorophenyl]methanamine has a molecular weight of 310.17 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-bromo-2-methylphenoxy)-6-fluorophenyl]methanamine is sourced from PubChem (CID 107283243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).