2-(3-bromo-4-fluorophenoxy)-2-pyridin-4-ylethanamine

C13H12BrFN2O — CID 83232517

IUPAC2-(3-bromo-4-fluorophenoxy)-2-pyridin-4-ylethanamine
SMILESNCC(Oc1ccc(F)c(Br)c1)c1ccncc1
InChIInChI=1S/C13H12BrFN2O/c14-11-7-10(1-2-12(11)15)18-13(8-16)9-3-5-17-6-4-9/h1-7,13H,8,16H2
InChIKeyQNAPLTFGCZCUNQ-UHFFFAOYSA-N
MW311.15 g/mol
LogP3.06
Rot. Bonds4

About 2-(3-bromo-4-fluorophenoxy)-2-pyridin-4-ylethanamine

2-(3-bromo-4-fluorophenoxy)-2-pyridin-4-ylethanamine (PubChem CID 83232517) has the molecular formula C13H12BrFN2O and a molecular weight of 311.15 g/mol. Its IUPAC name is 2-(3-bromo-4-fluorophenoxy)-2-pyridin-4-ylethanamine.

Molecular Properties

Compound Name2-(3-bromo-4-fluorophenoxy)-2-pyridin-4-ylethanamine
PubChem CID83232517
Molecular FormulaC13H12BrFN2O
Molecular Weight311.15 g/mol
Exact Mass310.01
IUPAC Name2-(3-bromo-4-fluorophenoxy)-2-pyridin-4-ylethanamine
SMILESNCC(Oc1ccc(F)c(Br)c1)c1ccncc1
InChIInChI=1S/C13H12BrFN2O/c14-11-7-10(1-2-12(11)15)18-13(8-16)9-3-5-17-6-4-9/h1-7,13H,8,16H2
InChIKeyQNAPLTFGCZCUNQ-UHFFFAOYSA-N
XLogP3.06
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.15
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-bromo-4-fluorophenoxy)-2-(3-fluorophenyl)ethanamine
CID 83232351
2-(2-bromo-4-methoxyphenoxy)-2-pyridin-4-ylethanamine
CID 104706773
2-(3-bromo-4-fluorophenoxy)-2-(3-methylphenyl)ethanamine
CID 83233344
2-(4-bromo-3-fluorophenoxy)-2-phenylethanamine
CID 65204084
2-(3-bromo-4-fluorophenoxy)-2-(3-methylthiophen-2-yl)ethanamine
CID 83231873
2-(4-bromo-3-methylphenoxy)-2-(4-fluorophenyl)ethanamine
CID 83133763
2-(4-bromo-3-methylphenoxy)-2-(4-chlorophenyl)ethanamine
CID 83133250
2-(4-bromo-3-fluorophenoxy)-2-(3-bromophenyl)ethanamine
CID 65203686
2-(3-bromo-4-fluorophenoxy)-N-methyl-2-phenylethanamine
CID 83235004
2-(4-chlorophenyl)-2-(3-fluoro-4-methylphenoxy)ethanamine
CID 107168741
2-(4-bromo-3-fluorophenoxy)-2-thiophen-3-ylethanamine
CID 65203482
2-(3-bromo-4-fluorophenyl)-2-methoxyethanamine
CID 66070724

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-fluorophenoxy)-2-pyridin-4-ylethanamine?
The IUPAC name of 2-(3-bromo-4-fluorophenoxy)-2-pyridin-4-ylethanamine (CID 83232517) is 2-(3-bromo-4-fluorophenoxy)-2-pyridin-4-ylethanamine.
What is the SMILES notation for 2-(3-bromo-4-fluorophenoxy)-2-pyridin-4-ylethanamine?
The canonical SMILES for 2-(3-bromo-4-fluorophenoxy)-2-pyridin-4-ylethanamine is NCC(Oc1ccc(F)c(Br)c1)c1ccncc1.
What is the InChIKey of 2-(3-bromo-4-fluorophenoxy)-2-pyridin-4-ylethanamine?
The InChIKey is QNAPLTFGCZCUNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrFN2O/c14-11-7-10(1-2-12(11)15)18-13(8-16)9-3-5-17-6-4-9/h1-7,13H,8,16H2.
What are the key properties of 2-(3-bromo-4-fluorophenoxy)-2-pyridin-4-ylethanamine?
2-(3-bromo-4-fluorophenoxy)-2-pyridin-4-ylethanamine has a molecular weight of 311.15 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-fluorophenoxy)-2-pyridin-4-ylethanamine is sourced from PubChem (CID 83232517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).