[3-[(4-bromo-3-methylphenoxy)methyl]-2-fluorophenyl]methanamine

C15H15BrFNO — CID 107114188

IUPAC[3-[(4-bromo-3-methylphenoxy)methyl]-2-fluorophenyl]methanamine
SMILESCc1cc(OCc2cccc(CN)c2F)ccc1Br
InChIInChI=1S/C15H15BrFNO/c1-10-7-13(5-6-14(10)16)19-9-12-4-2-3-11(8-18)15(12)17/h2-7H,8-9,18H2,1H3
InChIKeyYVJOIMAUDXDIIH-UHFFFAOYSA-N
MW324.19 g/mol
LogP3.93
Rot. Bonds4

About [3-[(4-bromo-3-methylphenoxy)methyl]-2-fluorophenyl]methanamine

[3-[(4-bromo-3-methylphenoxy)methyl]-2-fluorophenyl]methanamine (PubChem CID 107114188) has the molecular formula C15H15BrFNO and a molecular weight of 324.19 g/mol. Its IUPAC name is [3-[(4-bromo-3-methylphenoxy)methyl]-2-fluorophenyl]methanamine.

Molecular Properties

Compound Name[3-[(4-bromo-3-methylphenoxy)methyl]-2-fluorophenyl]methanamine
PubChem CID107114188
Molecular FormulaC15H15BrFNO
Molecular Weight324.19 g/mol
Exact Mass323.03
IUPAC Name[3-[(4-bromo-3-methylphenoxy)methyl]-2-fluorophenyl]methanamine
SMILESCc1cc(OCc2cccc(CN)c2F)ccc1Br
InChIInChI=1S/C15H15BrFNO/c1-10-7-13(5-6-14(10)16)19-9-12-4-2-3-11(8-18)15(12)17/h2-7H,8-9,18H2,1H3
InChIKeyYVJOIMAUDXDIIH-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

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Related Compounds

3-[(4-bromo-3-methylphenoxy)methyl]-2-fluorobenzenecarboximidamide
CID 107118238
1-bromo-4-[(2-chloro-3-fluorophenyl)methoxy]-2-methylbenzene
CID 112652330
[3-[(4-bromo-3-methylphenoxy)methyl]-4-fluorophenyl]methanamine
CID 83134024
[3-[(3-ethoxyphenoxy)methyl]-2-fluorophenyl]methanamine
CID 107114137
2-[(4-bromo-3-methylphenoxy)methyl]-5-fluoroaniline
CID 83133849
[3-[(3-bromo-5-fluorophenoxy)methyl]-2-fluorophenyl]methanamine
CID 107114175
1-bromo-4-[(4-bromo-2-fluorophenyl)methoxy]-2-methylbenzene
CID 83134047
[3-[(4-bromo-3-methylphenoxy)methyl]-4-methoxyphenyl]methanamine
CID 83133090
1-bromo-4-[(3,5-difluorophenyl)methoxy]-2-methylbenzene
CID 112694000
[3-[(2,5-dimethylphenoxy)methyl]-2-fluorophenyl]methanamine
CID 107114032
[5-[(4-bromo-3-methylphenoxy)methyl]furan-2-yl]methanamine
CID 83135141
1-bromo-4-[(2,6-dichlorophenyl)methoxy]-2-methylbenzene
CID 83133201

Frequently Asked Questions

What is the IUPAC name of [3-[(4-bromo-3-methylphenoxy)methyl]-2-fluorophenyl]methanamine?
The IUPAC name of [3-[(4-bromo-3-methylphenoxy)methyl]-2-fluorophenyl]methanamine (CID 107114188) is [3-[(4-bromo-3-methylphenoxy)methyl]-2-fluorophenyl]methanamine.
What is the SMILES notation for [3-[(4-bromo-3-methylphenoxy)methyl]-2-fluorophenyl]methanamine?
The canonical SMILES for [3-[(4-bromo-3-methylphenoxy)methyl]-2-fluorophenyl]methanamine is Cc1cc(OCc2cccc(CN)c2F)ccc1Br.
What is the InChIKey of [3-[(4-bromo-3-methylphenoxy)methyl]-2-fluorophenyl]methanamine?
The InChIKey is YVJOIMAUDXDIIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFNO/c1-10-7-13(5-6-14(10)16)19-9-12-4-2-3-11(8-18)15(12)17/h2-7H,8-9,18H2,1H3.
What are the key properties of [3-[(4-bromo-3-methylphenoxy)methyl]-2-fluorophenyl]methanamine?
[3-[(4-bromo-3-methylphenoxy)methyl]-2-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-[(4-bromo-3-methylphenoxy)methyl]-2-fluorophenyl]methanamine is sourced from PubChem (CID 107114188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).