4-[2-(4-aminophenyl)ethyl]-2,6-dibromophenol

C14H13Br2NO — CID 44543647

IUPAC4-[2-(4-aminophenyl)ethyl]-2,6-dibromophenol
SMILESNc1ccc(CCc2cc(Br)c(O)c(Br)c2)cc1
InChIInChI=1S/C14H13Br2NO/c15-12-7-10(8-13(16)14(12)18)2-1-9-3-5-11(17)6-4-9/h3-8,18H,1-2,17H2
InChIKeyFEGUWTAFJUALAZ-UHFFFAOYSA-N
MW371.07 g/mol
LogP4.28
Rot. Bonds3

About 4-[2-(4-aminophenyl)ethyl]-2,6-dibromophenol

4-[2-(4-aminophenyl)ethyl]-2,6-dibromophenol (PubChem CID 44543647) has the molecular formula C14H13Br2NO and a molecular weight of 371.07 g/mol. Its IUPAC name is 4-[2-(4-aminophenyl)ethyl]-2,6-dibromophenol.

Molecular Properties

Compound Name4-[2-(4-aminophenyl)ethyl]-2,6-dibromophenol
PubChem CID44543647
Molecular FormulaC14H13Br2NO
Molecular Weight371.07 g/mol
Exact Mass368.94
IUPAC Name4-[2-(4-aminophenyl)ethyl]-2,6-dibromophenol
SMILESNc1ccc(CCc2cc(Br)c(O)c(Br)c2)cc1
InChIInChI=1S/C14H13Br2NO/c15-12-7-10(8-13(16)14(12)18)2-1-9-3-5-11(17)6-4-9/h3-8,18H,1-2,17H2
InChIKeyFEGUWTAFJUALAZ-UHFFFAOYSA-N
XLogP4.28
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.07
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-aminophenyl)ethyl]-2,6-dibromophenol?
The IUPAC name of 4-[2-(4-aminophenyl)ethyl]-2,6-dibromophenol (CID 44543647) is 4-[2-(4-aminophenyl)ethyl]-2,6-dibromophenol.
What is the SMILES notation for 4-[2-(4-aminophenyl)ethyl]-2,6-dibromophenol?
The canonical SMILES for 4-[2-(4-aminophenyl)ethyl]-2,6-dibromophenol is Nc1ccc(CCc2cc(Br)c(O)c(Br)c2)cc1.
What is the InChIKey of 4-[2-(4-aminophenyl)ethyl]-2,6-dibromophenol?
The InChIKey is FEGUWTAFJUALAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Br2NO/c15-12-7-10(8-13(16)14(12)18)2-1-9-3-5-11(17)6-4-9/h3-8,18H,1-2,17H2.
What are the key properties of 4-[2-(4-aminophenyl)ethyl]-2,6-dibromophenol?
4-[2-(4-aminophenyl)ethyl]-2,6-dibromophenol has a molecular weight of 371.07 g/mol, XLogP of 4.28, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-aminophenyl)ethyl]-2,6-dibromophenol is sourced from PubChem (CID 44543647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).