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

C15H16BrFN2O — CID 80640738

IUPAC1-[6-(4-bromo-2-fluorophenoxy)-3-pyridinyl]butan-2-amine
SMILESCCC(N)Cc1ccc(Oc2ccc(Br)cc2F)nc1
InChIInChI=1S/C15H16BrFN2O/c1-2-12(18)7-10-3-6-15(19-9-10)20-14-5-4-11(16)8-13(14)17/h3-6,8-9,12H,2,7,18H2,1H3
InChIKeyRJFYJNXZNIDRFU-UHFFFAOYSA-N
MW339.21 g/mol
LogP4.06
Rot. Bonds5

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

1-[6-(4-bromo-2-fluorophenoxy)-3-pyridinyl]butan-2-amine (PubChem CID 80640738) has the molecular formula C15H16BrFN2O and a molecular weight of 339.21 g/mol. Its IUPAC name is 1-[6-(4-bromo-2-fluorophenoxy)-3-pyridinyl]butan-2-amine.

Molecular Properties

Compound Name1-[6-(4-bromo-2-fluorophenoxy)-3-pyridinyl]butan-2-amine
PubChem CID80640738
Molecular FormulaC15H16BrFN2O
Molecular Weight339.21 g/mol
Exact Mass338.04
IUPAC Name1-[6-(4-bromo-2-fluorophenoxy)-3-pyridinyl]butan-2-amine
SMILESCCC(N)Cc1ccc(Oc2ccc(Br)cc2F)nc1
InChIInChI=1S/C15H16BrFN2O/c1-2-12(18)7-10-3-6-15(19-9-10)20-14-5-4-11(16)8-13(14)17/h3-6,8-9,12H,2,7,18H2,1H3
InChIKeyRJFYJNXZNIDRFU-UHFFFAOYSA-N
XLogP4.06
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.21
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[6-(4-bromo-2-fluorophenoxy)-3-pyridinyl]butan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[6-(4-bromo-2-methylphenoxy)-3-pyridinyl]butan-2-amine
CID 80640067
1-[6-(4-bromo-2-fluorophenoxy)-5-methyl-3-pyridinyl]butan-2-amine
CID 80627504
1-[6-(2-bromo-4-chlorophenoxy)-3-pyridinyl]butan-2-amine
CID 80640546
N-[[6-(4-bromo-2-fluorophenoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62322221
1-[2-(4-bromo-2-fluorophenoxy)phenyl]butan-2-amine
CID 63815769
1-[6-(3,5-dimethylphenoxy)-3-pyridinyl]butan-2-amine
CID 80640337
1-[6-(4-chlorophenoxy)-3-pyridinyl]butan-2-amine
CID 80640336
1-[6-[(2-methyl-3-pyridinyl)oxy]-3-pyridinyl]butan-2-amine
CID 80639341
1-[6-(3,5-dichlorophenoxy)-3-pyridinyl]butan-2-amine
CID 80640652
1-[4-(5-bromo-2-fluorophenoxy)-3-methylphenyl]butan-2-amine
CID 114677110
1-[4-[(5-bromo-3-pyridinyl)methoxy]-3-fluorophenyl]butan-2-amine
CID 107693394
1-[4-(2-bromo-4-fluorophenoxy)-3-fluorophenyl]butan-2-amine
CID 63816803

Frequently Asked Questions

What is the IUPAC name of 1-[6-(4-bromo-2-fluorophenoxy)-3-pyridinyl]butan-2-amine?
The IUPAC name of 1-[6-(4-bromo-2-fluorophenoxy)-3-pyridinyl]butan-2-amine (CID 80640738) is 1-[6-(4-bromo-2-fluorophenoxy)-3-pyridinyl]butan-2-amine.
What is the SMILES notation for 1-[6-(4-bromo-2-fluorophenoxy)-3-pyridinyl]butan-2-amine?
The canonical SMILES for 1-[6-(4-bromo-2-fluorophenoxy)-3-pyridinyl]butan-2-amine is CCC(N)Cc1ccc(Oc2ccc(Br)cc2F)nc1.
What is the InChIKey of 1-[6-(4-bromo-2-fluorophenoxy)-3-pyridinyl]butan-2-amine?
The InChIKey is RJFYJNXZNIDRFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrFN2O/c1-2-12(18)7-10-3-6-15(19-9-10)20-14-5-4-11(16)8-13(14)17/h3-6,8-9,12H,2,7,18H2,1H3.
What are the key properties of 1-[6-(4-bromo-2-fluorophenoxy)-3-pyridinyl]butan-2-amine?
1-[6-(4-bromo-2-fluorophenoxy)-3-pyridinyl]butan-2-amine has a molecular weight of 339.21 g/mol, XLogP of 4.06, 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)-3-pyridinyl]butan-2-amine is sourced from PubChem (CID 80640738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).