6-(4-bromo-2-propan-2-ylphenoxy)-N-propylpyridin-2-amine

C17H21BrN2O — CID 115403081

IUPAC6-(4-bromo-2-propan-2-ylphenoxy)-N-propylpyridin-2-amine
SMILESCCCNc1cccc(Oc2ccc(Br)cc2C(C)C)n1
InChIInChI=1S/C17H21BrN2O/c1-4-10-19-16-6-5-7-17(20-16)21-15-9-8-13(18)11-14(15)12(2)3/h5-9,11-12H,4,10H2,1-3H3,(H,19,20)
InChIKeySKNUAABBYZLURB-UHFFFAOYSA-N
MW349.27 g/mol
LogP5.58
Rot. Bonds6

About 6-(4-bromo-2-propan-2-ylphenoxy)-N-propylpyridin-2-amine

6-(4-bromo-2-propan-2-ylphenoxy)-N-propylpyridin-2-amine (PubChem CID 115403081) has the molecular formula C17H21BrN2O and a molecular weight of 349.27 g/mol. Its IUPAC name is 6-(4-bromo-2-propan-2-ylphenoxy)-N-propylpyridin-2-amine.

Molecular Properties

Compound Name6-(4-bromo-2-propan-2-ylphenoxy)-N-propylpyridin-2-amine
PubChem CID115403081
Molecular FormulaC17H21BrN2O
Molecular Weight349.27 g/mol
Exact Mass348.08
IUPAC Name6-(4-bromo-2-propan-2-ylphenoxy)-N-propylpyridin-2-amine
SMILESCCCNc1cccc(Oc2ccc(Br)cc2C(C)C)n1
InChIInChI=1S/C17H21BrN2O/c1-4-10-19-16-6-5-7-17(20-16)21-15-9-8-13(18)11-14(15)12(2)3/h5-9,11-12H,4,10H2,1-3H3,(H,19,20)
InChIKeySKNUAABBYZLURB-UHFFFAOYSA-N
XLogP5.58
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.27
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(4-bromo-2-propan-2-ylphenoxy)-N-propylpyridin-2-amine?
The IUPAC name of 6-(4-bromo-2-propan-2-ylphenoxy)-N-propylpyridin-2-amine (CID 115403081) is 6-(4-bromo-2-propan-2-ylphenoxy)-N-propylpyridin-2-amine.
What is the SMILES notation for 6-(4-bromo-2-propan-2-ylphenoxy)-N-propylpyridin-2-amine?
The canonical SMILES for 6-(4-bromo-2-propan-2-ylphenoxy)-N-propylpyridin-2-amine is CCCNc1cccc(Oc2ccc(Br)cc2C(C)C)n1.
What is the InChIKey of 6-(4-bromo-2-propan-2-ylphenoxy)-N-propylpyridin-2-amine?
The InChIKey is SKNUAABBYZLURB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN2O/c1-4-10-19-16-6-5-7-17(20-16)21-15-9-8-13(18)11-14(15)12(2)3/h5-9,11-12H,4,10H2,1-3H3,(H,19,20).
What are the key properties of 6-(4-bromo-2-propan-2-ylphenoxy)-N-propylpyridin-2-amine?
6-(4-bromo-2-propan-2-ylphenoxy)-N-propylpyridin-2-amine has a molecular weight of 349.27 g/mol, XLogP of 5.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromo-2-propan-2-ylphenoxy)-N-propylpyridin-2-amine is sourced from PubChem (CID 115403081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).