2-(3-bromo-5-fluorophenyl)-1-(2-methoxy-3-pyridinyl)ethanamine

C14H14BrFN2O — CID 105169346

IUPAC2-(3-bromo-5-fluorophenyl)-1-(2-methoxy-3-pyridinyl)ethanamine
SMILESCOc1ncccc1C(N)Cc1cc(F)cc(Br)c1
InChIInChI=1S/C14H14BrFN2O/c1-19-14-12(3-2-4-18-14)13(17)7-9-5-10(15)8-11(16)6-9/h2-6,8,13H,7,17H2,1H3
InChIKeyWXUHQGGSJBSTNT-UHFFFAOYSA-N
MW325.18 g/mol
LogP3.23
Rot. Bonds4

About 2-(3-bromo-5-fluorophenyl)-1-(2-methoxy-3-pyridinyl)ethanamine

2-(3-bromo-5-fluorophenyl)-1-(2-methoxy-3-pyridinyl)ethanamine (PubChem CID 105169346) has the molecular formula C14H14BrFN2O and a molecular weight of 325.18 g/mol. Its IUPAC name is 2-(3-bromo-5-fluorophenyl)-1-(2-methoxy-3-pyridinyl)ethanamine.

Molecular Properties

Compound Name2-(3-bromo-5-fluorophenyl)-1-(2-methoxy-3-pyridinyl)ethanamine
PubChem CID105169346
Molecular FormulaC14H14BrFN2O
Molecular Weight325.18 g/mol
Exact Mass324.03
IUPAC Name2-(3-bromo-5-fluorophenyl)-1-(2-methoxy-3-pyridinyl)ethanamine
SMILESCOc1ncccc1C(N)Cc1cc(F)cc(Br)c1
InChIInChI=1S/C14H14BrFN2O/c1-19-14-12(3-2-4-18-14)13(17)7-9-5-10(15)8-11(16)6-9/h2-6,8,13H,7,17H2,1H3
InChIKeyWXUHQGGSJBSTNT-UHFFFAOYSA-N
XLogP3.23
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.18
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-bromo-5-fluorophenyl)-1-quinolin-5-ylethanamine
CID 105169391
2-(2,4-difluorophenyl)-1-(2-methoxy-3-pyridinyl)ethanamine
CID 105117230
2-(3-bromo-5-fluorophenyl)-1-(2-ethoxyphenyl)ethanamine
CID 115533554
2-(4-ethylphenyl)-1-(2-methoxy-3-pyridinyl)ethanamine
CID 105101378
2-(3-bromo-5-fluorophenyl)-1-pyridin-2-ylethanamine
CID 79702482
2-(2-fluorophenyl)-1-(2-methoxy-3-pyridinyl)ethanamine
CID 105090092
2-(2,3-difluorophenyl)-1-(2-methoxy-3-pyridinyl)ethanamine
CID 105137687
2-(3-bromo-5-fluorophenyl)-1-(5-bromo-2-methylphenyl)ethanamine
CID 105015800
2-(3,5-difluorophenyl)-1-quinolin-8-ylethanamine
CID 81227602
[2-(3-bromophenyl)-1-(2-methoxy-3-pyridinyl)ethyl]hydrazine
CID 105284546
2-(3-bromo-5-fluorophenyl)-1-isoquinolin-1-ylethanamine
CID 79700024
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(2-methoxy-3-pyridinyl)ethanamine
CID 105160896

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-5-fluorophenyl)-1-(2-methoxy-3-pyridinyl)ethanamine?
The IUPAC name of 2-(3-bromo-5-fluorophenyl)-1-(2-methoxy-3-pyridinyl)ethanamine (CID 105169346) is 2-(3-bromo-5-fluorophenyl)-1-(2-methoxy-3-pyridinyl)ethanamine.
What is the SMILES notation for 2-(3-bromo-5-fluorophenyl)-1-(2-methoxy-3-pyridinyl)ethanamine?
The canonical SMILES for 2-(3-bromo-5-fluorophenyl)-1-(2-methoxy-3-pyridinyl)ethanamine is COc1ncccc1C(N)Cc1cc(F)cc(Br)c1.
What is the InChIKey of 2-(3-bromo-5-fluorophenyl)-1-(2-methoxy-3-pyridinyl)ethanamine?
The InChIKey is WXUHQGGSJBSTNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrFN2O/c1-19-14-12(3-2-4-18-14)13(17)7-9-5-10(15)8-11(16)6-9/h2-6,8,13H,7,17H2,1H3.
What are the key properties of 2-(3-bromo-5-fluorophenyl)-1-(2-methoxy-3-pyridinyl)ethanamine?
2-(3-bromo-5-fluorophenyl)-1-(2-methoxy-3-pyridinyl)ethanamine has a molecular weight of 325.18 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-5-fluorophenyl)-1-(2-methoxy-3-pyridinyl)ethanamine is sourced from PubChem (CID 105169346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).