[2-(5-bromo-2-methylphenoxy)-6-(trifluoromethyl)-3-pyridinyl]methanamine

C14H12BrF3N2O — CID 107283221

IUPAC[2-(5-bromo-2-methylphenoxy)-6-(trifluoromethyl)-3-pyridinyl]methanamine
SMILESCc1ccc(Br)cc1Oc1nc(C(F)(F)F)ccc1CN
InChIInChI=1S/C14H12BrF3N2O/c1-8-2-4-10(15)6-11(8)21-13-9(7-19)3-5-12(20-13)14(16,17)18/h2-6H,7,19H2,1H3
InChIKeyVOSGLMZZQUVOBF-UHFFFAOYSA-N
MW361.16 g/mol
LogP4.42
Rot. Bonds3

About [2-(5-bromo-2-methylphenoxy)-6-(trifluoromethyl)-3-pyridinyl]methanamine

[2-(5-bromo-2-methylphenoxy)-6-(trifluoromethyl)-3-pyridinyl]methanamine (PubChem CID 107283221) has the molecular formula C14H12BrF3N2O and a molecular weight of 361.16 g/mol. Its IUPAC name is [2-(5-bromo-2-methylphenoxy)-6-(trifluoromethyl)-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[2-(5-bromo-2-methylphenoxy)-6-(trifluoromethyl)-3-pyridinyl]methanamine
PubChem CID107283221
Molecular FormulaC14H12BrF3N2O
Molecular Weight361.16 g/mol
Exact Mass360.01
IUPAC Name[2-(5-bromo-2-methylphenoxy)-6-(trifluoromethyl)-3-pyridinyl]methanamine
SMILESCc1ccc(Br)cc1Oc1nc(C(F)(F)F)ccc1CN
InChIInChI=1S/C14H12BrF3N2O/c1-8-2-4-10(15)6-11(8)21-13-9(7-19)3-5-12(20-13)14(16,17)18/h2-6H,7,19H2,1H3
InChIKeyVOSGLMZZQUVOBF-UHFFFAOYSA-N
XLogP4.42
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.16
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(2-chloro-4-methylphenoxy)-6-(trifluoromethyl)-3-pyridinyl]methanamine
CID 79874288
[2-(4-methoxyphenoxy)-6-(trifluoromethyl)-3-pyridinyl]methanamine
CID 79874080
[4-bromo-2-(2-methyl-5-propan-2-ylphenoxy)phenyl]methanamine
CID 63552389
[2-(3-chlorophenoxy)-6-(trifluoromethyl)-3-pyridinyl]methanamine
CID 79869812
[2-(5-bromo-2-methylphenoxy)imidazo[1,2-a]pyridin-3-yl]methanamine
CID 107285108
4-bromo-1-(5-bromo-2-methylphenoxy)-2-(trifluoromethyl)benzene
CID 107284389
[2-(5-bromo-2-methylphenoxy)-5-chloro-4-pyridinyl]methanamine
CID 107285585
[4-bromo-2-[4-(trifluoromethyl)phenoxy]phenyl]methanamine
CID 114900818
5-(5-bromo-2-methylphenoxy)-3-(trifluoromethyl)-1,2,4-thiadiazole
CID 107304603
[2-(3-methylbutoxy)-6-(trifluoromethyl)-3-pyridinyl]methanamine
CID 58873351
[5-(5-bromo-2-methylphenoxy)pyrazin-2-yl]methanamine
CID 107283228
2-[4-(5-bromo-2-methylphenoxy)-3,5-difluorophenyl]ethanamine
CID 107286734

Frequently Asked Questions

What is the IUPAC name of [2-(5-bromo-2-methylphenoxy)-6-(trifluoromethyl)-3-pyridinyl]methanamine?
The IUPAC name of [2-(5-bromo-2-methylphenoxy)-6-(trifluoromethyl)-3-pyridinyl]methanamine (CID 107283221) is [2-(5-bromo-2-methylphenoxy)-6-(trifluoromethyl)-3-pyridinyl]methanamine.
What is the SMILES notation for [2-(5-bromo-2-methylphenoxy)-6-(trifluoromethyl)-3-pyridinyl]methanamine?
The canonical SMILES for [2-(5-bromo-2-methylphenoxy)-6-(trifluoromethyl)-3-pyridinyl]methanamine is Cc1ccc(Br)cc1Oc1nc(C(F)(F)F)ccc1CN.
What is the InChIKey of [2-(5-bromo-2-methylphenoxy)-6-(trifluoromethyl)-3-pyridinyl]methanamine?
The InChIKey is VOSGLMZZQUVOBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrF3N2O/c1-8-2-4-10(15)6-11(8)21-13-9(7-19)3-5-12(20-13)14(16,17)18/h2-6H,7,19H2,1H3.
What are the key properties of [2-(5-bromo-2-methylphenoxy)-6-(trifluoromethyl)-3-pyridinyl]methanamine?
[2-(5-bromo-2-methylphenoxy)-6-(trifluoromethyl)-3-pyridinyl]methanamine has a molecular weight of 361.16 g/mol, XLogP of 4.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-bromo-2-methylphenoxy)-6-(trifluoromethyl)-3-pyridinyl]methanamine is sourced from PubChem (CID 107283221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).