[2-bromo-4-(3,4-dimethylphenoxy)-3-fluorophenyl]methanamine

C15H15BrFNO — CID 107532595

IUPAC[2-bromo-4-(3,4-dimethylphenoxy)-3-fluorophenyl]methanamine
SMILESCc1ccc(Oc2ccc(CN)c(Br)c2F)cc1C
InChIInChI=1S/C15H15BrFNO/c1-9-3-5-12(7-10(9)2)19-13-6-4-11(8-18)14(16)15(13)17/h3-7H,8,18H2,1-2H3
InChIKeyNNEAPLBCCZVKOR-UHFFFAOYSA-N
MW324.19 g/mol
LogP4.46
Rot. Bonds3

About [2-bromo-4-(3,4-dimethylphenoxy)-3-fluorophenyl]methanamine

[2-bromo-4-(3,4-dimethylphenoxy)-3-fluorophenyl]methanamine (PubChem CID 107532595) has the molecular formula C15H15BrFNO and a molecular weight of 324.19 g/mol. Its IUPAC name is [2-bromo-4-(3,4-dimethylphenoxy)-3-fluorophenyl]methanamine.

Molecular Properties

Compound Name[2-bromo-4-(3,4-dimethylphenoxy)-3-fluorophenyl]methanamine
PubChem CID107532595
Molecular FormulaC15H15BrFNO
Molecular Weight324.19 g/mol
Exact Mass323.03
IUPAC Name[2-bromo-4-(3,4-dimethylphenoxy)-3-fluorophenyl]methanamine
SMILESCc1ccc(Oc2ccc(CN)c(Br)c2F)cc1C
InChIInChI=1S/C15H15BrFNO/c1-9-3-5-12(7-10(9)2)19-13-6-4-11(8-18)14(16)15(13)17/h3-7H,8,18H2,1-2H3
InChIKeyNNEAPLBCCZVKOR-UHFFFAOYSA-N
XLogP4.46
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.19
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-bromo-3-fluoro-4-(4-methylphenoxy)phenyl]methanamine
CID 107532608
[5-bromo-2-(3,4-dimethylphenoxy)phenyl]methanamine
CID 114889855
[2-bromo-4-(5-chloro-2-methylphenoxy)-3-fluorophenyl]methanamine
CID 107532719
[2-bromo-4-(2,3-dihydro-1H-inden-5-yloxy)-3-fluorophenyl]methanamine
CID 107532626
[2-(3,4-dimethylphenoxy)-4-methylphenyl]methanamine
CID 62309021
[2-bromo-4-(2-bromo-4-methylphenoxy)-3-fluorophenyl]methanamine
CID 107532667
[4-(2-bromo-4-methoxyphenoxy)-2-methylphenyl]methanamine
CID 104706389
[2-(4-fluoro-3-methylphenoxy)-5-methylphenyl]methanamine
CID 107926537
[2-chloro-4-(2-fluoro-3-methylphenoxy)phenyl]methanamine
CID 107655131
[3-(3,4-dimethylphenoxy)-4-pyridinyl]methanamine
CID 59112975
[4-(4-bromo-2,5-dichlorophenoxy)-2-methylphenyl]methanamine
CID 107655066
2-[4-(5-bromo-2-fluorophenoxy)-2-methylphenyl]ethanamine
CID 114677126

Frequently Asked Questions

What is the IUPAC name of [2-bromo-4-(3,4-dimethylphenoxy)-3-fluorophenyl]methanamine?
The IUPAC name of [2-bromo-4-(3,4-dimethylphenoxy)-3-fluorophenyl]methanamine (CID 107532595) is [2-bromo-4-(3,4-dimethylphenoxy)-3-fluorophenyl]methanamine.
What is the SMILES notation for [2-bromo-4-(3,4-dimethylphenoxy)-3-fluorophenyl]methanamine?
The canonical SMILES for [2-bromo-4-(3,4-dimethylphenoxy)-3-fluorophenyl]methanamine is Cc1ccc(Oc2ccc(CN)c(Br)c2F)cc1C.
What is the InChIKey of [2-bromo-4-(3,4-dimethylphenoxy)-3-fluorophenyl]methanamine?
The InChIKey is NNEAPLBCCZVKOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFNO/c1-9-3-5-12(7-10(9)2)19-13-6-4-11(8-18)14(16)15(13)17/h3-7H,8,18H2,1-2H3.
What are the key properties of [2-bromo-4-(3,4-dimethylphenoxy)-3-fluorophenyl]methanamine?
[2-bromo-4-(3,4-dimethylphenoxy)-3-fluorophenyl]methanamine has a molecular weight of 324.19 g/mol, XLogP of 4.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-bromo-4-(3,4-dimethylphenoxy)-3-fluorophenyl]methanamine is sourced from PubChem (CID 107532595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).