5-bromo-N-(2-phenoxyethyl)-3-(trifluoromethyl)pyridin-2-amine

C14H12BrF3N2O — CID 106796104

IUPAC5-bromo-N-(2-phenoxyethyl)-3-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1cc(Br)cnc1NCCOc1ccccc1
InChIInChI=1S/C14H12BrF3N2O/c15-10-8-12(14(16,17)18)13(20-9-10)19-6-7-21-11-4-2-1-3-5-11/h1-5,8-9H,6-7H2,(H,19,20)
InChIKeyOISINECOAFAUBB-UHFFFAOYSA-N
MW361.16 g/mol
LogP4.35
Rot. Bonds5

About 5-bromo-N-(2-phenoxyethyl)-3-(trifluoromethyl)pyridin-2-amine

5-bromo-N-(2-phenoxyethyl)-3-(trifluoromethyl)pyridin-2-amine (PubChem CID 106796104) has the molecular formula C14H12BrF3N2O and a molecular weight of 361.16 g/mol. Its IUPAC name is 5-bromo-N-(2-phenoxyethyl)-3-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-(2-phenoxyethyl)-3-(trifluoromethyl)pyridin-2-amine
PubChem CID106796104
Molecular FormulaC14H12BrF3N2O
Molecular Weight361.16 g/mol
Exact Mass360.01
IUPAC Name5-bromo-N-(2-phenoxyethyl)-3-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1cc(Br)cnc1NCCOc1ccccc1
InChIInChI=1S/C14H12BrF3N2O/c15-10-8-12(14(16,17)18)13(20-9-10)19-6-7-21-11-4-2-1-3-5-11/h1-5,8-9H,6-7H2,(H,19,20)
InChIKeyOISINECOAFAUBB-UHFFFAOYSA-N
XLogP4.35
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.16
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-bromo-N-(3-phenylpropyl)-3-(trifluoromethyl)pyridin-2-amine
CID 106795999
3,5-dibromo-N-(3-phenoxypropyl)pyridin-2-amine
CID 113413693
5-bromo-N-[2-(2-fluorophenyl)ethyl]-3-(trifluoromethyl)pyridin-2-amine
CID 106795925
5-bromo-N-(3-butoxypropyl)-3-(trifluoromethyl)pyridin-2-amine
CID 106796377
1-N-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]butane-1,3-diamine
CID 106796532
5-bromo-N-[(2-bromophenyl)methyl]-3-(trifluoromethyl)pyridin-2-amine
CID 106796056
5-bromo-N-(2-thiophen-2-ylethyl)-3-(trifluoromethyl)pyridin-2-amine
CID 106795936
5-bromo-N-octyl-3-(trifluoromethyl)pyridin-2-amine
CID 106796309
3-bromo-5-methyl-N-(2-phenoxyethyl)pyridin-2-amine
CID 105366850
5-bromo-N-[2-(3-methylphenyl)ethyl]-3-(trifluoromethyl)pyridin-2-amine
CID 106796142
5-bromo-N-(2-cyclopentylethyl)-3-(trifluoromethyl)pyridin-2-amine
CID 106796000
5-bromo-N-(2-cyclohexylethyl)-3-(trifluoromethyl)pyridin-2-amine
CID 106796001

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-phenoxyethyl)-3-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 5-bromo-N-(2-phenoxyethyl)-3-(trifluoromethyl)pyridin-2-amine (CID 106796104) is 5-bromo-N-(2-phenoxyethyl)-3-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 5-bromo-N-(2-phenoxyethyl)-3-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 5-bromo-N-(2-phenoxyethyl)-3-(trifluoromethyl)pyridin-2-amine is FC(F)(F)c1cc(Br)cnc1NCCOc1ccccc1.
What is the InChIKey of 5-bromo-N-(2-phenoxyethyl)-3-(trifluoromethyl)pyridin-2-amine?
The InChIKey is OISINECOAFAUBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrF3N2O/c15-10-8-12(14(16,17)18)13(20-9-10)19-6-7-21-11-4-2-1-3-5-11/h1-5,8-9H,6-7H2,(H,19,20).
What are the key properties of 5-bromo-N-(2-phenoxyethyl)-3-(trifluoromethyl)pyridin-2-amine?
5-bromo-N-(2-phenoxyethyl)-3-(trifluoromethyl)pyridin-2-amine has a molecular weight of 361.16 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-phenoxyethyl)-3-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 106796104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).