1-(4-aminophenyl)-2-(2,4-dibromophenoxy)ethanol

C14H13Br2NO2 — CID 64718642

IUPAC1-(4-aminophenyl)-2-(2,4-dibromophenoxy)ethanol
SMILESNc1ccc(C(O)COc2ccc(Br)cc2Br)cc1
InChIInChI=1S/C14H13Br2NO2/c15-10-3-6-14(12(16)7-10)19-8-13(18)9-1-4-11(17)5-2-9/h1-7,13,18H,8,17H2
InChIKeyQETRZQUBEAANKU-UHFFFAOYSA-N
MW387.07 g/mol
LogP3.91
Rot. Bonds4

About 1-(4-aminophenyl)-2-(2,4-dibromophenoxy)ethanol

1-(4-aminophenyl)-2-(2,4-dibromophenoxy)ethanol (PubChem CID 64718642) has the molecular formula C14H13Br2NO2 and a molecular weight of 387.07 g/mol. Its IUPAC name is 1-(4-aminophenyl)-2-(2,4-dibromophenoxy)ethanol.

Molecular Properties

Compound Name1-(4-aminophenyl)-2-(2,4-dibromophenoxy)ethanol
PubChem CID64718642
Molecular FormulaC14H13Br2NO2
Molecular Weight387.07 g/mol
Exact Mass384.93
IUPAC Name1-(4-aminophenyl)-2-(2,4-dibromophenoxy)ethanol
SMILESNc1ccc(C(O)COc2ccc(Br)cc2Br)cc1
InChIInChI=1S/C14H13Br2NO2/c15-10-3-6-14(12(16)7-10)19-8-13(18)9-1-4-11(17)5-2-9/h1-7,13,18H,8,17H2
InChIKeyQETRZQUBEAANKU-UHFFFAOYSA-N
XLogP3.91
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.07
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(4-aminophenyl)-2-(2,4,5-trichlorophenoxy)ethanol
CID 62265767
2-(4-bromo-2-chlorophenoxy)-1-phenylethanol
CID 60725947
1-(4-aminophenyl)-2-(2-methoxy-4-methylphenoxy)ethanol
CID 62265588
2-aminooxy-1-(4-bromophenyl)ethanol
CID 82115920
2-[2-[(1S)-1-aminoethyl]-4-bromophenoxy]-1-phenylethanol
CID 63367802
1-(2,4-dibromophenoxy)-3-(dimethylamino)propan-2-ol
CID 16877055
(2S)-1-(2,4-dibromophenoxy)-3-(dimethylamino)propan-2-ol
CID 42588460
4-[2-(4-aminophenyl)-2-hydroxyethoxy]-3-fluorobenzonitrile
CID 107670256
3-bromo-4-(2-hydroxy-2-phenylethoxy)benzoic acid
CID 63050259
2-(4-aminophenoxy)-1-(4-propan-2-ylphenyl)ethanol
CID 46307232
2-[2-[(1S)-1-aminoethyl]-5-bromophenoxy]-1-phenylethanol
CID 102947238
3-(2,4-dibromophenoxy)-2-methylpropanoic acid
CID 43538016

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-2-(2,4-dibromophenoxy)ethanol?
The IUPAC name of 1-(4-aminophenyl)-2-(2,4-dibromophenoxy)ethanol (CID 64718642) is 1-(4-aminophenyl)-2-(2,4-dibromophenoxy)ethanol.
What is the SMILES notation for 1-(4-aminophenyl)-2-(2,4-dibromophenoxy)ethanol?
The canonical SMILES for 1-(4-aminophenyl)-2-(2,4-dibromophenoxy)ethanol is Nc1ccc(C(O)COc2ccc(Br)cc2Br)cc1.
What is the InChIKey of 1-(4-aminophenyl)-2-(2,4-dibromophenoxy)ethanol?
The InChIKey is QETRZQUBEAANKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Br2NO2/c15-10-3-6-14(12(16)7-10)19-8-13(18)9-1-4-11(17)5-2-9/h1-7,13,18H,8,17H2.
What are the key properties of 1-(4-aminophenyl)-2-(2,4-dibromophenoxy)ethanol?
1-(4-aminophenyl)-2-(2,4-dibromophenoxy)ethanol has a molecular weight of 387.07 g/mol, XLogP of 3.91, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)-2-(2,4-dibromophenoxy)ethanol is sourced from PubChem (CID 64718642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).