1-[6-(4-bromo-2-fluorophenoxy)-5-methyl-3-pyridinyl]butan-2-amine

C16H18BrFN2O — CID 80627504

IUPAC1-[6-(4-bromo-2-fluorophenoxy)-5-methyl-3-pyridinyl]butan-2-amine
SMILESCCC(N)Cc1cnc(Oc2ccc(Br)cc2F)c(C)c1
InChIInChI=1S/C16H18BrFN2O/c1-3-13(19)7-11-6-10(2)16(20-9-11)21-15-5-4-12(17)8-14(15)18/h4-6,8-9,13H,3,7,19H2,1-2H3
InChIKeyXVJMZMCJTUANRF-UHFFFAOYSA-N
MW353.24 g/mol
LogP4.36
Rot. Bonds5

About 1-[6-(4-bromo-2-fluorophenoxy)-5-methyl-3-pyridinyl]butan-2-amine

1-[6-(4-bromo-2-fluorophenoxy)-5-methyl-3-pyridinyl]butan-2-amine (PubChem CID 80627504) has the molecular formula C16H18BrFN2O and a molecular weight of 353.24 g/mol. Its IUPAC name is 1-[6-(4-bromo-2-fluorophenoxy)-5-methyl-3-pyridinyl]butan-2-amine.

Molecular Properties

Compound Name1-[6-(4-bromo-2-fluorophenoxy)-5-methyl-3-pyridinyl]butan-2-amine
PubChem CID80627504
Molecular FormulaC16H18BrFN2O
Molecular Weight353.24 g/mol
Exact Mass352.06
IUPAC Name1-[6-(4-bromo-2-fluorophenoxy)-5-methyl-3-pyridinyl]butan-2-amine
SMILESCCC(N)Cc1cnc(Oc2ccc(Br)cc2F)c(C)c1
InChIInChI=1S/C16H18BrFN2O/c1-3-13(19)7-11-6-10(2)16(20-9-11)21-15-5-4-12(17)8-14(15)18/h4-6,8-9,13H,3,7,19H2,1-2H3
InChIKeyXVJMZMCJTUANRF-UHFFFAOYSA-N
XLogP4.36
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.24
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[6-(4-bromo-2-fluorophenoxy)-3-pyridinyl]butan-2-amine
CID 80640738
N-[[6-(4-bromo-2-fluorophenoxy)-5-methyl-3-pyridinyl]methyl]propan-2-amine
CID 80637433
1-[6-(2,4-dibromophenoxy)-5-methyl-3-pyridinyl]propan-2-amine
CID 80639988
1-[4-(5-bromo-2-fluorophenoxy)-3-methylphenyl]butan-2-amine
CID 114677110
1-[6-(4-bromo-2-methylphenoxy)-3-pyridinyl]butan-2-amine
CID 80640067
1-[6-(2,3-dichlorophenoxy)-5-methyl-3-pyridinyl]butan-2-amine
CID 80626845
1-[2-(4-bromo-2-fluorophenoxy)phenyl]butan-2-amine
CID 63815769
1-[4-(2,4-difluorophenoxy)-3-methylphenyl]butan-2-amine
CID 63817149
N-[[6-(5-bromo-2-fluorophenoxy)-5-methyl-3-pyridinyl]methyl]propan-2-amine
CID 114674388
2-[4-(4-bromo-2-fluorophenoxy)-3-methylphenyl]ethanamine
CID 55238939
[6-(4-bromo-2-fluorophenoxy)-5-chloro-3-pyridinyl]methanol
CID 61257547
(1S)-1-[5-(4-bromo-2-fluorophenoxy)-2-pyridinyl]propan-1-amine
CID 103937813

Frequently Asked Questions

What is the IUPAC name of 1-[6-(4-bromo-2-fluorophenoxy)-5-methyl-3-pyridinyl]butan-2-amine?
The IUPAC name of 1-[6-(4-bromo-2-fluorophenoxy)-5-methyl-3-pyridinyl]butan-2-amine (CID 80627504) is 1-[6-(4-bromo-2-fluorophenoxy)-5-methyl-3-pyridinyl]butan-2-amine.
What is the SMILES notation for 1-[6-(4-bromo-2-fluorophenoxy)-5-methyl-3-pyridinyl]butan-2-amine?
The canonical SMILES for 1-[6-(4-bromo-2-fluorophenoxy)-5-methyl-3-pyridinyl]butan-2-amine is CCC(N)Cc1cnc(Oc2ccc(Br)cc2F)c(C)c1.
What is the InChIKey of 1-[6-(4-bromo-2-fluorophenoxy)-5-methyl-3-pyridinyl]butan-2-amine?
The InChIKey is XVJMZMCJTUANRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrFN2O/c1-3-13(19)7-11-6-10(2)16(20-9-11)21-15-5-4-12(17)8-14(15)18/h4-6,8-9,13H,3,7,19H2,1-2H3.
What are the key properties of 1-[6-(4-bromo-2-fluorophenoxy)-5-methyl-3-pyridinyl]butan-2-amine?
1-[6-(4-bromo-2-fluorophenoxy)-5-methyl-3-pyridinyl]butan-2-amine has a molecular weight of 353.24 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(4-bromo-2-fluorophenoxy)-5-methyl-3-pyridinyl]butan-2-amine is sourced from PubChem (CID 80627504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).