2-(4-bromo-2-propan-2-ylphenoxy)-2-pyridin-2-ylethanamine

C16H19BrN2O — CID 115401604

IUPAC2-(4-bromo-2-propan-2-ylphenoxy)-2-pyridin-2-ylethanamine
SMILESCC(C)c1cc(Br)ccc1OC(CN)c1ccccn1
InChIInChI=1S/C16H19BrN2O/c1-11(2)13-9-12(17)6-7-15(13)20-16(10-18)14-5-3-4-8-19-14/h3-9,11,16H,10,18H2,1-2H3
InChIKeyOCBHDEWPEFUNPE-UHFFFAOYSA-N
MW335.25 g/mol
LogP4.05
Rot. Bonds5

About 2-(4-bromo-2-propan-2-ylphenoxy)-2-pyridin-2-ylethanamine

2-(4-bromo-2-propan-2-ylphenoxy)-2-pyridin-2-ylethanamine (PubChem CID 115401604) has the molecular formula C16H19BrN2O and a molecular weight of 335.25 g/mol. Its IUPAC name is 2-(4-bromo-2-propan-2-ylphenoxy)-2-pyridin-2-ylethanamine.

Molecular Properties

Compound Name2-(4-bromo-2-propan-2-ylphenoxy)-2-pyridin-2-ylethanamine
PubChem CID115401604
Molecular FormulaC16H19BrN2O
Molecular Weight335.25 g/mol
Exact Mass334.07
IUPAC Name2-(4-bromo-2-propan-2-ylphenoxy)-2-pyridin-2-ylethanamine
SMILESCC(C)c1cc(Br)ccc1OC(CN)c1ccccn1
InChIInChI=1S/C16H19BrN2O/c1-11(2)13-9-12(17)6-7-15(13)20-16(10-18)14-5-3-4-8-19-14/h3-9,11,16H,10,18H2,1-2H3
InChIKeyOCBHDEWPEFUNPE-UHFFFAOYSA-N
XLogP4.05
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.25
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chloro-4-methylphenoxy)-2-pyridin-2-ylethanamine
CID 55104475
2-(4-bromo-2-propan-2-ylphenoxy)-2-thiophen-2-ylethanamine
CID 115401637
2-(4-bromo-2-propan-2-ylphenoxy)-2-(3-fluorophenyl)ethanamine
CID 115401662
2-(4-bromo-3-methylphenoxy)-2-pyridin-2-ylethanamine
CID 83132841
1-(4-bromo-2-methylphenoxy)-1-pyridin-2-ylpropan-2-amine
CID 55163071
4-bromo-2-propan-2-yl-1-propan-2-yloxybenzene
CID 22039362
2-(2,4-dibromophenoxy)-2-(2-methylphenyl)ethanamine
CID 64721518
3-bromo-2-(4-bromo-2-propan-2-ylphenoxy)pyridine
CID 115402194
(1S)-1-[5-bromo-2-(pyridin-2-ylmethoxy)phenyl]ethanamine
CID 78937400
[6-(4-bromo-2-propan-2-ylphenoxy)-5-chloro-3-pyridinyl]methanamine
CID 115402665
4-bromo-1-(2-phenylethoxy)-2-propan-2-ylbenzene
CID 115401938
1-[2-(4-bromo-2-propan-2-ylphenoxy)phenyl]propan-2-amine
CID 115402935

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-propan-2-ylphenoxy)-2-pyridin-2-ylethanamine?
The IUPAC name of 2-(4-bromo-2-propan-2-ylphenoxy)-2-pyridin-2-ylethanamine (CID 115401604) is 2-(4-bromo-2-propan-2-ylphenoxy)-2-pyridin-2-ylethanamine.
What is the SMILES notation for 2-(4-bromo-2-propan-2-ylphenoxy)-2-pyridin-2-ylethanamine?
The canonical SMILES for 2-(4-bromo-2-propan-2-ylphenoxy)-2-pyridin-2-ylethanamine is CC(C)c1cc(Br)ccc1OC(CN)c1ccccn1.
What is the InChIKey of 2-(4-bromo-2-propan-2-ylphenoxy)-2-pyridin-2-ylethanamine?
The InChIKey is OCBHDEWPEFUNPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2O/c1-11(2)13-9-12(17)6-7-15(13)20-16(10-18)14-5-3-4-8-19-14/h3-9,11,16H,10,18H2,1-2H3.
What are the key properties of 2-(4-bromo-2-propan-2-ylphenoxy)-2-pyridin-2-ylethanamine?
2-(4-bromo-2-propan-2-ylphenoxy)-2-pyridin-2-ylethanamine has a molecular weight of 335.25 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-propan-2-ylphenoxy)-2-pyridin-2-ylethanamine is sourced from PubChem (CID 115401604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).