2-[4-bromo-2-(4-bromo-2-propan-2-ylphenoxy)phenyl]ethanamine

C17H19Br2NO — CID 115402942

IUPAC2-[4-bromo-2-(4-bromo-2-propan-2-ylphenoxy)phenyl]ethanamine
SMILESCC(C)c1cc(Br)ccc1Oc1cc(Br)ccc1CCN
InChIInChI=1S/C17H19Br2NO/c1-11(2)15-9-13(18)5-6-16(15)21-17-10-14(19)4-3-12(17)7-8-20/h3-6,9-11H,7-8,20H2,1-2H3
InChIKeyPOAFLWKINLZAQH-UHFFFAOYSA-N
MW413.15 g/mol
LogP5.63
Rot. Bonds5

About 2-[4-bromo-2-(4-bromo-2-propan-2-ylphenoxy)phenyl]ethanamine

2-[4-bromo-2-(4-bromo-2-propan-2-ylphenoxy)phenyl]ethanamine (PubChem CID 115402942) has the molecular formula C17H19Br2NO and a molecular weight of 413.15 g/mol. Its IUPAC name is 2-[4-bromo-2-(4-bromo-2-propan-2-ylphenoxy)phenyl]ethanamine.

Molecular Properties

Compound Name2-[4-bromo-2-(4-bromo-2-propan-2-ylphenoxy)phenyl]ethanamine
PubChem CID115402942
Molecular FormulaC17H19Br2NO
Molecular Weight413.15 g/mol
Exact Mass410.98
IUPAC Name2-[4-bromo-2-(4-bromo-2-propan-2-ylphenoxy)phenyl]ethanamine
SMILESCC(C)c1cc(Br)ccc1Oc1cc(Br)ccc1CCN
InChIInChI=1S/C17H19Br2NO/c1-11(2)15-9-13(18)5-6-16(15)21-17-10-14(19)4-3-12(17)7-8-20/h3-6,9-11H,7-8,20H2,1-2H3
InChIKeyPOAFLWKINLZAQH-UHFFFAOYSA-N
XLogP5.63
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.15
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-bromo-2-(4-bromo-2-chlorophenoxy)phenyl]ethanamine
CID 63803304
2-[4-bromo-2-(4-propan-2-ylphenoxy)phenyl]ethanamine
CID 63817335
2-[4-bromo-2-(2,5-dimethylphenoxy)phenyl]ethanamine
CID 63802592
2-[4-bromo-2-(2-bromo-4-fluorophenoxy)phenyl]ethanamine
CID 63816804
[2-(4-bromo-2-propan-2-ylphenoxy)-5-chlorophenyl]methanol
CID 114846232
1-[2-(4-bromo-2-propan-2-ylphenoxy)phenyl]propan-2-amine
CID 115402935
2-[4-bromo-2-(2,6-dimethoxyphenoxy)phenyl]ethanamine
CID 63815071
2-[4-bromo-2-(3-chloro-2-fluorophenoxy)phenyl]ethanamine
CID 116690763
2-(5-bromo-2-propan-2-yloxyphenyl)ethanamine
CID 60905780
2-(4-bromo-2-propan-2-ylphenoxy)-4,5-dichloroaniline
CID 115401583
1-(4-bromo-2-propan-2-ylphenoxy)-4-(chloromethyl)-2-fluorobenzene
CID 115402447
2-[2-(2-bromo-4-chlorophenoxy)-4-chlorophenyl]ethanamine
CID 114863000

Frequently Asked Questions

What is the IUPAC name of 2-[4-bromo-2-(4-bromo-2-propan-2-ylphenoxy)phenyl]ethanamine?
The IUPAC name of 2-[4-bromo-2-(4-bromo-2-propan-2-ylphenoxy)phenyl]ethanamine (CID 115402942) is 2-[4-bromo-2-(4-bromo-2-propan-2-ylphenoxy)phenyl]ethanamine.
What is the SMILES notation for 2-[4-bromo-2-(4-bromo-2-propan-2-ylphenoxy)phenyl]ethanamine?
The canonical SMILES for 2-[4-bromo-2-(4-bromo-2-propan-2-ylphenoxy)phenyl]ethanamine is CC(C)c1cc(Br)ccc1Oc1cc(Br)ccc1CCN.
What is the InChIKey of 2-[4-bromo-2-(4-bromo-2-propan-2-ylphenoxy)phenyl]ethanamine?
The InChIKey is POAFLWKINLZAQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Br2NO/c1-11(2)15-9-13(18)5-6-16(15)21-17-10-14(19)4-3-12(17)7-8-20/h3-6,9-11H,7-8,20H2,1-2H3.
What are the key properties of 2-[4-bromo-2-(4-bromo-2-propan-2-ylphenoxy)phenyl]ethanamine?
2-[4-bromo-2-(4-bromo-2-propan-2-ylphenoxy)phenyl]ethanamine has a molecular weight of 413.15 g/mol, XLogP of 5.63, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-bromo-2-(4-bromo-2-propan-2-ylphenoxy)phenyl]ethanamine is sourced from PubChem (CID 115402942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).