2-[[6-[(3-bromophenoxy)methyl]-5-fluoro-3-pyridinyl]oxy]-N-methylethanamine

C15H16BrFN2O2 — CID 142465448

IUPAC2-[[6-[(3-bromophenoxy)methyl]-5-fluoro-3-pyridinyl]oxy]-N-methylethanamine
SMILESCNCCOc1cnc(COc2cccc(Br)c2)c(F)c1
InChIInChI=1S/C15H16BrFN2O2/c1-18-5-6-20-13-8-14(17)15(19-9-13)10-21-12-4-2-3-11(16)7-12/h2-4,7-9,18H,5-6,10H2,1H3
InChIKeyGAQMWSVADKSQBO-UHFFFAOYSA-N
MW355.21 g/mol
LogP3.16
Rot. Bonds7

About 2-[[6-[(3-bromophenoxy)methyl]-5-fluoro-3-pyridinyl]oxy]-N-methylethanamine

2-[[6-[(3-bromophenoxy)methyl]-5-fluoro-3-pyridinyl]oxy]-N-methylethanamine (PubChem CID 142465448) has the molecular formula C15H16BrFN2O2 and a molecular weight of 355.21 g/mol. Its IUPAC name is 2-[[6-[(3-bromophenoxy)methyl]-5-fluoro-3-pyridinyl]oxy]-N-methylethanamine.

Molecular Properties

Compound Name2-[[6-[(3-bromophenoxy)methyl]-5-fluoro-3-pyridinyl]oxy]-N-methylethanamine
PubChem CID142465448
Molecular FormulaC15H16BrFN2O2
Molecular Weight355.21 g/mol
Exact Mass354.04
IUPAC Name2-[[6-[(3-bromophenoxy)methyl]-5-fluoro-3-pyridinyl]oxy]-N-methylethanamine
SMILESCNCCOc1cnc(COc2cccc(Br)c2)c(F)c1
InChIInChI=1S/C15H16BrFN2O2/c1-18-5-6-20-13-8-14(17)15(19-9-13)10-21-12-4-2-3-11(16)7-12/h2-4,7-9,18H,5-6,10H2,1H3
InChIKeyGAQMWSVADKSQBO-UHFFFAOYSA-N
XLogP3.16
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.21
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(3-bromophenyl)methoxy]-2-fluoro-1-methylbenzene
CID 107170182
3-fluoro-2-[(4-fluoro-3-phenylphenoxy)methyl]-5-propoxypyridine
CID 163761672
2-[2-[(3-bromophenoxy)methyl]phenyl]-N-methylethanamine
CID 115464862
3-[2-(methylamino)ethoxy]phenol
CID 83619980
N-[2-(3-bromophenoxy)ethyl]-4-(methylamino)butanamide;hydrochloride
CID 119746365
3-(3-bromophenoxy)-N-propan-2-ylpropan-1-amine
CID 29015667
2-[(6-bromo-3-pyridinyl)oxy]-N-methylethanamine
CID 162753112
1-bromo-3-[2-(dimethylsulfamoylamino)ethoxy]benzene
CID 113099671
N-[2-(3-bromophenoxy)ethyl]-4-tert-butylaniline
CID 63490147
(1R)-N-[2-(3-bromophenoxy)ethyl]-1-(3-bromophenyl)ethanamine
CID 81381208
1-N'-[2-(3-bromophenoxy)ethyl]ethane-1,1-diamine
CID 163538279
6-[(3-bromophenoxy)methyl]-5-chloro-N-methylpyridin-2-amine
CID 62886325

Frequently Asked Questions

What is the IUPAC name of 2-[[6-[(3-bromophenoxy)methyl]-5-fluoro-3-pyridinyl]oxy]-N-methylethanamine?
The IUPAC name of 2-[[6-[(3-bromophenoxy)methyl]-5-fluoro-3-pyridinyl]oxy]-N-methylethanamine (CID 142465448) is 2-[[6-[(3-bromophenoxy)methyl]-5-fluoro-3-pyridinyl]oxy]-N-methylethanamine.
What is the SMILES notation for 2-[[6-[(3-bromophenoxy)methyl]-5-fluoro-3-pyridinyl]oxy]-N-methylethanamine?
The canonical SMILES for 2-[[6-[(3-bromophenoxy)methyl]-5-fluoro-3-pyridinyl]oxy]-N-methylethanamine is CNCCOc1cnc(COc2cccc(Br)c2)c(F)c1.
What is the InChIKey of 2-[[6-[(3-bromophenoxy)methyl]-5-fluoro-3-pyridinyl]oxy]-N-methylethanamine?
The InChIKey is GAQMWSVADKSQBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrFN2O2/c1-18-5-6-20-13-8-14(17)15(19-9-13)10-21-12-4-2-3-11(16)7-12/h2-4,7-9,18H,5-6,10H2,1H3.
What are the key properties of 2-[[6-[(3-bromophenoxy)methyl]-5-fluoro-3-pyridinyl]oxy]-N-methylethanamine?
2-[[6-[(3-bromophenoxy)methyl]-5-fluoro-3-pyridinyl]oxy]-N-methylethanamine has a molecular weight of 355.21 g/mol, XLogP of 3.16, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-[(3-bromophenoxy)methyl]-5-fluoro-3-pyridinyl]oxy]-N-methylethanamine is sourced from PubChem (CID 142465448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).