1-[2-(2-amino-5-bromophenoxy)phenyl]ethanol

C14H14BrNO2 — CID 67246950

IUPAC1-[2-(2-amino-5-bromophenoxy)phenyl]ethanol
SMILESCC(O)c1ccccc1Oc1cc(Br)ccc1N
InChIInChI=1S/C14H14BrNO2/c1-9(17)11-4-2-3-5-13(11)18-14-8-10(15)6-7-12(14)16/h2-9,17H,16H2,1H3
InChIKeyMWSXEKKYZQJAQP-UHFFFAOYSA-N
MW308.18 g/mol
LogP3.88
Rot. Bonds3

About 1-[2-(2-amino-5-bromophenoxy)phenyl]ethanol

1-[2-(2-amino-5-bromophenoxy)phenyl]ethanol (PubChem CID 67246950) has the molecular formula C14H14BrNO2 and a molecular weight of 308.18 g/mol. Its IUPAC name is 1-[2-(2-amino-5-bromophenoxy)phenyl]ethanol.

Molecular Properties

Compound Name1-[2-(2-amino-5-bromophenoxy)phenyl]ethanol
PubChem CID67246950
Molecular FormulaC14H14BrNO2
Molecular Weight308.18 g/mol
Exact Mass307.02
IUPAC Name1-[2-(2-amino-5-bromophenoxy)phenyl]ethanol
SMILESCC(O)c1ccccc1Oc1cc(Br)ccc1N
InChIInChI=1S/C14H14BrNO2/c1-9(17)11-4-2-3-5-13(11)18-14-8-10(15)6-7-12(14)16/h2-9,17H,16H2,1H3
InChIKeyMWSXEKKYZQJAQP-UHFFFAOYSA-N
XLogP3.88
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.18
LogP ≤ 53.88
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-[2-(2,4-dibromophenoxy)phenyl]ethanol
CID 64720452
(1R)-1-[2-(2,4-dibromophenoxy)phenyl]ethanol
CID 78999180
1-[4-bromo-2-(2-bromophenoxy)phenyl]ethanol
CID 82971318
1-[5-bromo-2-(2-butan-2-ylphenoxy)phenyl]ethanol
CID 82959280
1-(2-amino-5-bromophenyl)ethanol
CID 68865052
1-[5-bromo-2-(5-bromo-2-chlorophenoxy)phenyl]ethanol
CID 82970318
1-[5-bromo-2-(2-propan-2-ylphenoxy)phenyl]ethanamine
CID 82976372
4-bromo-2-[2-[(dimethylamino)methyl]phenoxy]aniline
CID 58625415
1-[4-bromo-2-(1-phenylethoxy)phenyl]ethanol
CID 102948374
1-[4-bromo-2-(4-fluorophenoxy)phenyl]ethanol
CID 82971322
4-bromo-2-(2-propan-2-ylphenoxy)benzoic acid
CID 43364865
4-bromo-2-propan-2-yloxyaniline
CID 50998232

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-amino-5-bromophenoxy)phenyl]ethanol?
The IUPAC name of 1-[2-(2-amino-5-bromophenoxy)phenyl]ethanol (CID 67246950) is 1-[2-(2-amino-5-bromophenoxy)phenyl]ethanol.
What is the SMILES notation for 1-[2-(2-amino-5-bromophenoxy)phenyl]ethanol?
The canonical SMILES for 1-[2-(2-amino-5-bromophenoxy)phenyl]ethanol is CC(O)c1ccccc1Oc1cc(Br)ccc1N.
What is the InChIKey of 1-[2-(2-amino-5-bromophenoxy)phenyl]ethanol?
The InChIKey is MWSXEKKYZQJAQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO2/c1-9(17)11-4-2-3-5-13(11)18-14-8-10(15)6-7-12(14)16/h2-9,17H,16H2,1H3.
What are the key properties of 1-[2-(2-amino-5-bromophenoxy)phenyl]ethanol?
1-[2-(2-amino-5-bromophenoxy)phenyl]ethanol has a molecular weight of 308.18 g/mol, XLogP of 3.88, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-amino-5-bromophenoxy)phenyl]ethanol is sourced from PubChem (CID 67246950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).