[3-[(5-bromo-2-methylphenoxy)methyl]-5-fluorophenyl]methanamine

C15H15BrFNO — CID 107283553

IUPAC[3-[(5-bromo-2-methylphenoxy)methyl]-5-fluorophenyl]methanamine
SMILESCc1ccc(Br)cc1OCc1cc(F)cc(CN)c1
InChIInChI=1S/C15H15BrFNO/c1-10-2-3-13(16)7-15(10)19-9-12-4-11(8-18)5-14(17)6-12/h2-7H,8-9,18H2,1H3
InChIKeyRVASDCDCOWIVMU-UHFFFAOYSA-N
MW324.19 g/mol
LogP3.93
Rot. Bonds4

About [3-[(5-bromo-2-methylphenoxy)methyl]-5-fluorophenyl]methanamine

[3-[(5-bromo-2-methylphenoxy)methyl]-5-fluorophenyl]methanamine (PubChem CID 107283553) has the molecular formula C15H15BrFNO and a molecular weight of 324.19 g/mol. Its IUPAC name is [3-[(5-bromo-2-methylphenoxy)methyl]-5-fluorophenyl]methanamine.

Molecular Properties

Compound Name[3-[(5-bromo-2-methylphenoxy)methyl]-5-fluorophenyl]methanamine
PubChem CID107283553
Molecular FormulaC15H15BrFNO
Molecular Weight324.19 g/mol
Exact Mass323.03
IUPAC Name[3-[(5-bromo-2-methylphenoxy)methyl]-5-fluorophenyl]methanamine
SMILESCc1ccc(Br)cc1OCc1cc(F)cc(CN)c1
InChIInChI=1S/C15H15BrFNO/c1-10-2-3-13(16)7-15(10)19-9-12-4-11(8-18)5-14(17)6-12/h2-7H,8-9,18H2,1H3
InChIKeyRVASDCDCOWIVMU-UHFFFAOYSA-N
XLogP3.93
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.19
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [3-[(5-bromo-2-methylphenoxy)methyl]-5-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

[3-[(5-bromo-2-methylphenoxy)methyl]phenyl]methanamine
CID 107283560
4-bromo-2-[(3-fluorophenyl)methoxy]-1-methylbenzene
CID 107284187
3-[(3-bromo-5-fluorophenyl)methoxy]-4-methylaniline
CID 79704583
[3-[(4-bromo-3,5-dimethylphenoxy)methyl]-5-fluorophenyl]methanamine
CID 107722883
[5-[(5-bromo-2-methylphenoxy)methyl]-3-methylfuran-2-yl]methanamine
CID 107286140
1-[4-[(5-bromo-2-methylphenoxy)methyl]phenyl]-N-methylmethanamine
CID 107285914
[3-[(4-bromo-2,5-dichlorophenoxy)methyl]-5-fluorophenyl]methanamine
CID 107656471
[3-[(3-bromo-5-fluorophenyl)methoxy]-4-methoxyphenyl]methanamine
CID 79705064
3-(5-bromo-2-methylphenoxy)propan-1-amine
CID 82648257
4-bromo-2-[(3-chlorophenyl)methoxy]-1-methylbenzene
CID 107284184
3-[(4-bromo-2-fluorophenoxy)methyl]-5-fluoroaniline
CID 112646487
2-[(5-bromo-2-methylphenoxy)methyl]-1,3,5-trimethylbenzene
CID 107284300

Frequently Asked Questions

What is the IUPAC name of [3-[(5-bromo-2-methylphenoxy)methyl]-5-fluorophenyl]methanamine?
The IUPAC name of [3-[(5-bromo-2-methylphenoxy)methyl]-5-fluorophenyl]methanamine (CID 107283553) is [3-[(5-bromo-2-methylphenoxy)methyl]-5-fluorophenyl]methanamine.
What is the SMILES notation for [3-[(5-bromo-2-methylphenoxy)methyl]-5-fluorophenyl]methanamine?
The canonical SMILES for [3-[(5-bromo-2-methylphenoxy)methyl]-5-fluorophenyl]methanamine is Cc1ccc(Br)cc1OCc1cc(F)cc(CN)c1.
What is the InChIKey of [3-[(5-bromo-2-methylphenoxy)methyl]-5-fluorophenyl]methanamine?
The InChIKey is RVASDCDCOWIVMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFNO/c1-10-2-3-13(16)7-15(10)19-9-12-4-11(8-18)5-14(17)6-12/h2-7H,8-9,18H2,1H3.
What are the key properties of [3-[(5-bromo-2-methylphenoxy)methyl]-5-fluorophenyl]methanamine?
[3-[(5-bromo-2-methylphenoxy)methyl]-5-fluorophenyl]methanamine has a molecular weight of 324.19 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(5-bromo-2-methylphenoxy)methyl]-5-fluorophenyl]methanamine is sourced from PubChem (CID 107283553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).