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

C15H16BrClN2O — CID 80640546

IUPAC1-[6-(2-bromo-4-chlorophenoxy)-3-pyridinyl]butan-2-amine
SMILESCCC(N)Cc1ccc(Oc2ccc(Cl)cc2Br)nc1
InChIInChI=1S/C15H16BrClN2O/c1-2-12(18)7-10-3-6-15(19-9-10)20-14-5-4-11(17)8-13(14)16/h3-6,8-9,12H,2,7,18H2,1H3
InChIKeyWODMSLDTWKHXGQ-UHFFFAOYSA-N
MW355.66 g/mol
LogP4.57
Rot. Bonds5

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

1-[6-(2-bromo-4-chlorophenoxy)-3-pyridinyl]butan-2-amine (PubChem CID 80640546) has the molecular formula C15H16BrClN2O and a molecular weight of 355.66 g/mol. Its IUPAC name is 1-[6-(2-bromo-4-chlorophenoxy)-3-pyridinyl]butan-2-amine.

Molecular Properties

Compound Name1-[6-(2-bromo-4-chlorophenoxy)-3-pyridinyl]butan-2-amine
PubChem CID80640546
Molecular FormulaC15H16BrClN2O
Molecular Weight355.66 g/mol
Exact Mass354.01
IUPAC Name1-[6-(2-bromo-4-chlorophenoxy)-3-pyridinyl]butan-2-amine
SMILESCCC(N)Cc1ccc(Oc2ccc(Cl)cc2Br)nc1
InChIInChI=1S/C15H16BrClN2O/c1-2-12(18)7-10-3-6-15(19-9-10)20-14-5-4-11(17)8-13(14)16/h3-6,8-9,12H,2,7,18H2,1H3
InChIKeyWODMSLDTWKHXGQ-UHFFFAOYSA-N
XLogP4.57
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.66
LogP ≤ 54.57
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
1-[6-(4-chlorophenoxy)-3-pyridinyl]butan-2-amine
CID 80640336
1-[6-(4-bromo-2-methylphenoxy)-3-pyridinyl]butan-2-amine
CID 80640067
1-[6-(3,5-dichlorophenoxy)-3-pyridinyl]butan-2-amine
CID 80640652
N-[[6-(2-bromo-4-chlorophenoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62322902
N-[[6-(2-bromo-4-chlorophenoxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 62323080
1-[6-(2,4-dichlorophenoxy)-3-pyridinyl]propan-2-amine
CID 80640339
1-[6-(4-chloro-2-methylphenoxy)-3-pyridinyl]propan-2-amine
CID 80639510
1-[6-(3,5-dimethylphenoxy)-3-pyridinyl]butan-2-amine
CID 80640337
1-[6-[(2-methyl-3-pyridinyl)oxy]-3-pyridinyl]butan-2-amine
CID 80639341
1-[3-chloro-4-(2,4-dibromophenoxy)phenyl]butan-2-amine
CID 81160657
1-[6-(2,3,6-trimethylphenoxy)-3-pyridinyl]butan-2-amine
CID 80627302

Frequently Asked Questions

What is the IUPAC name of 1-[6-(2-bromo-4-chlorophenoxy)-3-pyridinyl]butan-2-amine?
The IUPAC name of 1-[6-(2-bromo-4-chlorophenoxy)-3-pyridinyl]butan-2-amine (CID 80640546) is 1-[6-(2-bromo-4-chlorophenoxy)-3-pyridinyl]butan-2-amine.
What is the SMILES notation for 1-[6-(2-bromo-4-chlorophenoxy)-3-pyridinyl]butan-2-amine?
The canonical SMILES for 1-[6-(2-bromo-4-chlorophenoxy)-3-pyridinyl]butan-2-amine is CCC(N)Cc1ccc(Oc2ccc(Cl)cc2Br)nc1.
What is the InChIKey of 1-[6-(2-bromo-4-chlorophenoxy)-3-pyridinyl]butan-2-amine?
The InChIKey is WODMSLDTWKHXGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrClN2O/c1-2-12(18)7-10-3-6-15(19-9-10)20-14-5-4-11(17)8-13(14)16/h3-6,8-9,12H,2,7,18H2,1H3.
What are the key properties of 1-[6-(2-bromo-4-chlorophenoxy)-3-pyridinyl]butan-2-amine?
1-[6-(2-bromo-4-chlorophenoxy)-3-pyridinyl]butan-2-amine has a molecular weight of 355.66 g/mol, XLogP of 4.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2-bromo-4-chlorophenoxy)-3-pyridinyl]butan-2-amine is sourced from PubChem (CID 80640546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).