[2-(2-bromo-4-methylphenoxy)-5-(trifluoromethyl)phenyl]methanamine

C15H13BrF3NO — CID 43528674

IUPAC[2-(2-bromo-4-methylphenoxy)-5-(trifluoromethyl)phenyl]methanamine
SMILESCc1ccc(Oc2ccc(C(F)(F)F)cc2CN)c(Br)c1
InChIInChI=1S/C15H13BrF3NO/c1-9-2-4-14(12(16)6-9)21-13-5-3-11(15(17,18)19)7-10(13)8-20/h2-7H,8,20H2,1H3
InChIKeyDDMMAQKAWKRPCH-UHFFFAOYSA-N
MW360.17 g/mol
LogP5.03
Rot. Bonds3

About [2-(2-bromo-4-methylphenoxy)-5-(trifluoromethyl)phenyl]methanamine

[2-(2-bromo-4-methylphenoxy)-5-(trifluoromethyl)phenyl]methanamine (PubChem CID 43528674) has the molecular formula C15H13BrF3NO and a molecular weight of 360.17 g/mol. Its IUPAC name is [2-(2-bromo-4-methylphenoxy)-5-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Name[2-(2-bromo-4-methylphenoxy)-5-(trifluoromethyl)phenyl]methanamine
PubChem CID43528674
Molecular FormulaC15H13BrF3NO
Molecular Weight360.17 g/mol
Exact Mass359.01
IUPAC Name[2-(2-bromo-4-methylphenoxy)-5-(trifluoromethyl)phenyl]methanamine
SMILESCc1ccc(Oc2ccc(C(F)(F)F)cc2CN)c(Br)c1
InChIInChI=1S/C15H13BrF3NO/c1-9-2-4-14(12(16)6-9)21-13-5-3-11(15(17,18)19)7-10(13)8-20/h2-7H,8,20H2,1H3
InChIKeyDDMMAQKAWKRPCH-UHFFFAOYSA-N
XLogP5.03
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.17
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(2-bromophenoxy)-5-(trifluoromethyl)phenyl]methanamine
CID 43528602
[2-(3-methylphenoxy)-5-(trifluoromethyl)phenyl]methanamine
CID 43331214
[2-bromo-4-(2-bromo-4-methylphenoxy)-3-fluorophenyl]methanamine
CID 107532667
[2-(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)phenyl]methanamine
CID 43153637
[2-(2-bromo-4-methylphenoxy)-3-fluoro-4-pyridinyl]methanamine
CID 105391301
[2-butoxy-5-(trifluoromethyl)phenyl]methanamine
CID 43267438
2-[2-bromo-4-(trifluoromethyl)phenoxy]-6-methylaniline
CID 115511828
[2-(2-bromo-4-methylphenoxy)-3-pyridinyl]methanamine
CID 43528676
2-[2-bromo-4-(trifluoromethyl)phenoxy]aniline
CID 115511816
2-[2-(aminomethyl)-4-(trifluoromethyl)phenoxy]ethanol
CID 43153652
[2-(2,4-dimethylphenoxy)-5-fluorophenyl]methanamine
CID 43314141
[3-bromo-4-(2,4-dimethylphenoxy)phenyl]methanamine
CID 82797229

Frequently Asked Questions

What is the IUPAC name of [2-(2-bromo-4-methylphenoxy)-5-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of [2-(2-bromo-4-methylphenoxy)-5-(trifluoromethyl)phenyl]methanamine (CID 43528674) is [2-(2-bromo-4-methylphenoxy)-5-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for [2-(2-bromo-4-methylphenoxy)-5-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for [2-(2-bromo-4-methylphenoxy)-5-(trifluoromethyl)phenyl]methanamine is Cc1ccc(Oc2ccc(C(F)(F)F)cc2CN)c(Br)c1.
What is the InChIKey of [2-(2-bromo-4-methylphenoxy)-5-(trifluoromethyl)phenyl]methanamine?
The InChIKey is DDMMAQKAWKRPCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrF3NO/c1-9-2-4-14(12(16)6-9)21-13-5-3-11(15(17,18)19)7-10(13)8-20/h2-7H,8,20H2,1H3.
What are the key properties of [2-(2-bromo-4-methylphenoxy)-5-(trifluoromethyl)phenyl]methanamine?
[2-(2-bromo-4-methylphenoxy)-5-(trifluoromethyl)phenyl]methanamine has a molecular weight of 360.17 g/mol, XLogP of 5.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-bromo-4-methylphenoxy)-5-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 43528674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).