1-[2-(4-bromo-2-propan-2-ylphenoxy)phenyl]propan-2-amine

C18H22BrNO — CID 115402935

IUPAC1-[2-(4-bromo-2-propan-2-ylphenoxy)phenyl]propan-2-amine
SMILESCC(N)Cc1ccccc1Oc1ccc(Br)cc1C(C)C
InChIInChI=1S/C18H22BrNO/c1-12(2)16-11-15(19)8-9-18(16)21-17-7-5-4-6-14(17)10-13(3)20/h4-9,11-13H,10,20H2,1-3H3
InChIKeyFQIPPZSXJKFFQG-UHFFFAOYSA-N
MW348.28 g/mol
LogP5.25
Rot. Bonds5

About 1-[2-(4-bromo-2-propan-2-ylphenoxy)phenyl]propan-2-amine

1-[2-(4-bromo-2-propan-2-ylphenoxy)phenyl]propan-2-amine (PubChem CID 115402935) has the molecular formula C18H22BrNO and a molecular weight of 348.28 g/mol. Its IUPAC name is 1-[2-(4-bromo-2-propan-2-ylphenoxy)phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[2-(4-bromo-2-propan-2-ylphenoxy)phenyl]propan-2-amine
PubChem CID115402935
Molecular FormulaC18H22BrNO
Molecular Weight348.28 g/mol
Exact Mass347.09
IUPAC Name1-[2-(4-bromo-2-propan-2-ylphenoxy)phenyl]propan-2-amine
SMILESCC(N)Cc1ccccc1Oc1ccc(Br)cc1C(C)C
InChIInChI=1S/C18H22BrNO/c1-12(2)16-11-15(19)8-9-18(16)21-17-7-5-4-6-14(17)10-13(3)20/h4-9,11-13H,10,20H2,1-3H3
InChIKeyFQIPPZSXJKFFQG-UHFFFAOYSA-N
XLogP5.25
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.28
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(4-bromo-2-methylphenoxy)phenyl]propan-2-amine
CID 63801992
1-[5-bromo-2-(2-propan-2-ylphenoxy)phenyl]ethanamine
CID 82976372
1-[4-bromo-2-(2-methylphenoxy)phenyl]propan-2-amine
CID 63801754
1-[4-bromo-2-(2-methoxyphenoxy)phenyl]propan-2-amine
CID 63803114
1-[4-chloro-2-(2-propan-2-ylphenoxy)phenyl]propan-2-amine
CID 114862989
2-(4-bromo-2-propan-2-ylphenoxy)benzamide
CID 115402255
2-[4-bromo-2-(4-bromo-2-propan-2-ylphenoxy)phenyl]ethanamine
CID 115402942
1-[2-(3-bromo-5-fluorophenoxy)phenyl]propan-2-amine
CID 81325789
1-[4-(4-bromo-2-propan-2-ylphenoxy)phenyl]ethanamine
CID 115402372
[2-(4-bromo-2-propan-2-ylphenoxy)-5-chlorophenyl]methanol
CID 114846232
1-[2-(2-chloro-5-methylphenoxy)phenyl]propan-2-amine
CID 63803481
1-[2-(4-bromo-2-fluorophenoxy)phenyl]butan-2-amine
CID 63815769

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-bromo-2-propan-2-ylphenoxy)phenyl]propan-2-amine?
The IUPAC name of 1-[2-(4-bromo-2-propan-2-ylphenoxy)phenyl]propan-2-amine (CID 115402935) is 1-[2-(4-bromo-2-propan-2-ylphenoxy)phenyl]propan-2-amine.
What is the SMILES notation for 1-[2-(4-bromo-2-propan-2-ylphenoxy)phenyl]propan-2-amine?
The canonical SMILES for 1-[2-(4-bromo-2-propan-2-ylphenoxy)phenyl]propan-2-amine is CC(N)Cc1ccccc1Oc1ccc(Br)cc1C(C)C.
What is the InChIKey of 1-[2-(4-bromo-2-propan-2-ylphenoxy)phenyl]propan-2-amine?
The InChIKey is FQIPPZSXJKFFQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrNO/c1-12(2)16-11-15(19)8-9-18(16)21-17-7-5-4-6-14(17)10-13(3)20/h4-9,11-13H,10,20H2,1-3H3.
What are the key properties of 1-[2-(4-bromo-2-propan-2-ylphenoxy)phenyl]propan-2-amine?
1-[2-(4-bromo-2-propan-2-ylphenoxy)phenyl]propan-2-amine has a molecular weight of 348.28 g/mol, XLogP of 5.25, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-bromo-2-propan-2-ylphenoxy)phenyl]propan-2-amine is sourced from PubChem (CID 115402935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).