1-[5-(4-bromo-2-propan-2-ylphenoxy)-2-pyridinyl]ethanamine

C16H19BrN2O — CID 83123632

IUPAC1-[5-(4-bromo-2-propan-2-ylphenoxy)-2-pyridinyl]ethanamine
SMILESCC(C)c1cc(Br)ccc1Oc1ccc(C(C)N)nc1
InChIInChI=1S/C16H19BrN2O/c1-10(2)14-8-12(17)4-7-16(14)20-13-5-6-15(11(3)18)19-9-13/h4-11H,18H2,1-3H3
InChIKeyJEPSDKBCHYSBLO-UHFFFAOYSA-N
MW335.25 g/mol
LogP4.78
Rot. Bonds4

About 1-[5-(4-bromo-2-propan-2-ylphenoxy)-2-pyridinyl]ethanamine

1-[5-(4-bromo-2-propan-2-ylphenoxy)-2-pyridinyl]ethanamine (PubChem CID 83123632) has the molecular formula C16H19BrN2O and a molecular weight of 335.25 g/mol. Its IUPAC name is 1-[5-(4-bromo-2-propan-2-ylphenoxy)-2-pyridinyl]ethanamine.

Molecular Properties

Compound Name1-[5-(4-bromo-2-propan-2-ylphenoxy)-2-pyridinyl]ethanamine
PubChem CID83123632
Molecular FormulaC16H19BrN2O
Molecular Weight335.25 g/mol
Exact Mass334.07
IUPAC Name1-[5-(4-bromo-2-propan-2-ylphenoxy)-2-pyridinyl]ethanamine
SMILESCC(C)c1cc(Br)ccc1Oc1ccc(C(C)N)nc1
InChIInChI=1S/C16H19BrN2O/c1-10(2)14-8-12(17)4-7-16(14)20-13-5-6-15(11(3)18)19-9-13/h4-11H,18H2,1-3H3
InChIKeyJEPSDKBCHYSBLO-UHFFFAOYSA-N
XLogP4.78
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.25
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-(5-bromo-2-chlorophenoxy)-2-pyridinyl]ethanamine
CID 83124274
(1R)-1-[5-(4-bromo-2-fluorophenoxy)-2-pyridinyl]ethanamine
CID 83123834
(1S)-1-[5-(5-bromo-2-chlorophenoxy)-2-pyridinyl]ethanamine
CID 83123226
1-[4-(4-bromo-2-propan-2-ylphenoxy)phenyl]ethanamine
CID 115402372
1-[5-(2-bromo-4-chlorophenoxy)-2-pyridinyl]ethanamine
CID 83123280
1-[5-(2,4,5-trichlorophenoxy)-2-pyridinyl]ethanamine
CID 83127680
1-[5-(2,4-difluorophenoxy)-2-pyridinyl]ethanamine
CID 83127520
1-[5-(2-methoxy-4-methylphenoxy)-2-pyridinyl]ethanamine
CID 83127673
(1S)-1-[5-(3-chlorophenoxy)-2-pyridinyl]ethanamine
CID 83127697
4-(4-bromo-2-propan-2-ylphenoxy)-2-chloropyridine
CID 113302886
(1R)-1-[5-(4-propan-2-ylphenoxy)-2-pyridinyl]ethanamine
CID 83127768
(1S)-1-[5-(4-bromo-2-fluorophenoxy)-2-pyridinyl]propan-1-amine
CID 103937813

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-bromo-2-propan-2-ylphenoxy)-2-pyridinyl]ethanamine?
The IUPAC name of 1-[5-(4-bromo-2-propan-2-ylphenoxy)-2-pyridinyl]ethanamine (CID 83123632) is 1-[5-(4-bromo-2-propan-2-ylphenoxy)-2-pyridinyl]ethanamine.
What is the SMILES notation for 1-[5-(4-bromo-2-propan-2-ylphenoxy)-2-pyridinyl]ethanamine?
The canonical SMILES for 1-[5-(4-bromo-2-propan-2-ylphenoxy)-2-pyridinyl]ethanamine is CC(C)c1cc(Br)ccc1Oc1ccc(C(C)N)nc1.
What is the InChIKey of 1-[5-(4-bromo-2-propan-2-ylphenoxy)-2-pyridinyl]ethanamine?
The InChIKey is JEPSDKBCHYSBLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2O/c1-10(2)14-8-12(17)4-7-16(14)20-13-5-6-15(11(3)18)19-9-13/h4-11H,18H2,1-3H3.
What are the key properties of 1-[5-(4-bromo-2-propan-2-ylphenoxy)-2-pyridinyl]ethanamine?
1-[5-(4-bromo-2-propan-2-ylphenoxy)-2-pyridinyl]ethanamine has a molecular weight of 335.25 g/mol, XLogP of 4.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-bromo-2-propan-2-ylphenoxy)-2-pyridinyl]ethanamine is sourced from PubChem (CID 83123632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).