2-[4-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethanamine

C14H12BrF3N2O — CID 106796783

IUPAC2-[4-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethanamine
SMILESNCCc1ccc(Oc2ncc(Br)cc2C(F)(F)F)cc1
InChIInChI=1S/C14H12BrF3N2O/c15-10-7-12(14(16,17)18)13(20-8-10)21-11-3-1-9(2-4-11)5-6-19/h1-4,7-8H,5-6,19H2
InChIKeyPKTGHUKOUNSBOG-UHFFFAOYSA-N
MW361.16 g/mol
LogP4.16
Rot. Bonds4

About 2-[4-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethanamine

2-[4-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethanamine (PubChem CID 106796783) has the molecular formula C14H12BrF3N2O and a molecular weight of 361.16 g/mol. Its IUPAC name is 2-[4-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethanamine.

Molecular Properties

Compound Name2-[4-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethanamine
PubChem CID106796783
Molecular FormulaC14H12BrF3N2O
Molecular Weight361.16 g/mol
Exact Mass360.01
IUPAC Name2-[4-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethanamine
SMILESNCCc1ccc(Oc2ncc(Br)cc2C(F)(F)F)cc1
InChIInChI=1S/C14H12BrF3N2O/c15-10-7-12(14(16,17)18)13(20-8-10)21-11-3-1-9(2-4-11)5-6-19/h1-4,7-8H,5-6,19H2
InChIKeyPKTGHUKOUNSBOG-UHFFFAOYSA-N
XLogP4.16
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.16
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]oxy]-2-fluoroaniline
CID 106796453
2-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]oxy]ethanamine
CID 106796826
3-bromo-5-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]oxy]aniline
CID 106796476
3-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid
CID 106796769
2-[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]ethanamine
CID 86666229
5-bromo-3-chloro-2-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridine
CID 103583775
2-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]ethanamine
CID 167442979
2-[4-[(5-bromo-3-methyl-2-pyridinyl)oxy]phenyl]ethanol
CID 107709601
5-bromo-3-(chloromethyl)-2-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridine
CID 102747278
5-bromo-2-(2-methylpropoxy)-3-(trifluoromethyl)pyridine
CID 134128575
2-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]oxy]acetic acid
CID 106796775
4-[(5-bromo-3-methyl-2-pyridinyl)oxy]-3-(trifluoromethyl)aniline
CID 79717904

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethanamine?
The IUPAC name of 2-[4-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethanamine (CID 106796783) is 2-[4-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethanamine.
What is the SMILES notation for 2-[4-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethanamine?
The canonical SMILES for 2-[4-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethanamine is NCCc1ccc(Oc2ncc(Br)cc2C(F)(F)F)cc1.
What is the InChIKey of 2-[4-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethanamine?
The InChIKey is PKTGHUKOUNSBOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrF3N2O/c15-10-7-12(14(16,17)18)13(20-8-10)21-11-3-1-9(2-4-11)5-6-19/h1-4,7-8H,5-6,19H2.
What are the key properties of 2-[4-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethanamine?
2-[4-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethanamine has a molecular weight of 361.16 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethanamine is sourced from PubChem (CID 106796783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).