1-(2-aminophenoxy)-3-(4-bromo-2-chlorophenoxy)propan-2-ol

C15H15BrClNO3 — CID 62269183

IUPAC1-(2-aminophenoxy)-3-(4-bromo-2-chlorophenoxy)propan-2-ol
SMILESNc1ccccc1OCC(O)COc1ccc(Br)cc1Cl
InChIInChI=1S/C15H15BrClNO3/c16-10-5-6-14(12(17)7-10)20-8-11(19)9-21-15-4-2-1-3-13(15)18/h1-7,11,19H,8-9,18H2
InChIKeyPPUNPJNIXOWBBR-UHFFFAOYSA-N
MW372.65 g/mol
LogP3.50
Rot. Bonds6

About 1-(2-aminophenoxy)-3-(4-bromo-2-chlorophenoxy)propan-2-ol

1-(2-aminophenoxy)-3-(4-bromo-2-chlorophenoxy)propan-2-ol (PubChem CID 62269183) has the molecular formula C15H15BrClNO3 and a molecular weight of 372.65 g/mol. Its IUPAC name is 1-(2-aminophenoxy)-3-(4-bromo-2-chlorophenoxy)propan-2-ol.

Molecular Properties

Compound Name1-(2-aminophenoxy)-3-(4-bromo-2-chlorophenoxy)propan-2-ol
PubChem CID62269183
Molecular FormulaC15H15BrClNO3
Molecular Weight372.65 g/mol
Exact Mass370.99
IUPAC Name1-(2-aminophenoxy)-3-(4-bromo-2-chlorophenoxy)propan-2-ol
SMILESNc1ccccc1OCC(O)COc1ccc(Br)cc1Cl
InChIInChI=1S/C15H15BrClNO3/c16-10-5-6-14(12(17)7-10)20-8-11(19)9-21-15-4-2-1-3-13(15)18/h1-7,11,19H,8-9,18H2
InChIKeyPPUNPJNIXOWBBR-UHFFFAOYSA-N
XLogP3.50
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.65
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4-bromo-2-chlorophenoxy)butan-2-ol
CID 60878201
2-(4-bromo-2-chlorophenoxy)-1-phenylethanol
CID 60725947
(2S)-1-(4-bromo-2-chlorophenoxy)propan-2-ol
CID 106933022
1-(2-aminophenoxy)-3-(4-chlorophenoxy)propan-2-ol
CID 62267239
1-(2-aminophenoxy)-3-(2-fluorophenoxy)propan-2-ol
CID 62269719
1-(2-aminophenoxy)-3-(2-iodophenoxy)propan-2-ol
CID 62268837
1-(2-aminophenoxy)-3-[(2-bromophenyl)methoxy]propan-2-ol
CID 82804127
1-(2-aminophenoxy)-3-(2-fluoro-5-methylphenoxy)propan-2-ol
CID 64855185
2-[2-(2,4-dichlorophenoxy)ethoxy]aniline
CID 39418958
2-(4-bromo-2-chlorophenoxy)ethanol
CID 23090761
1-(2-aminophenoxy)-3-(3-fluorophenoxy)propan-2-ol
CID 62268649
2-[2-(4-bromo-2-methylphenoxy)ethoxy]aniline
CID 63216601

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminophenoxy)-3-(4-bromo-2-chlorophenoxy)propan-2-ol?
The IUPAC name of 1-(2-aminophenoxy)-3-(4-bromo-2-chlorophenoxy)propan-2-ol (CID 62269183) is 1-(2-aminophenoxy)-3-(4-bromo-2-chlorophenoxy)propan-2-ol.
What is the SMILES notation for 1-(2-aminophenoxy)-3-(4-bromo-2-chlorophenoxy)propan-2-ol?
The canonical SMILES for 1-(2-aminophenoxy)-3-(4-bromo-2-chlorophenoxy)propan-2-ol is Nc1ccccc1OCC(O)COc1ccc(Br)cc1Cl.
What is the InChIKey of 1-(2-aminophenoxy)-3-(4-bromo-2-chlorophenoxy)propan-2-ol?
The InChIKey is PPUNPJNIXOWBBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrClNO3/c16-10-5-6-14(12(17)7-10)20-8-11(19)9-21-15-4-2-1-3-13(15)18/h1-7,11,19H,8-9,18H2.
What are the key properties of 1-(2-aminophenoxy)-3-(4-bromo-2-chlorophenoxy)propan-2-ol?
1-(2-aminophenoxy)-3-(4-bromo-2-chlorophenoxy)propan-2-ol has a molecular weight of 372.65 g/mol, XLogP of 3.50, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminophenoxy)-3-(4-bromo-2-chlorophenoxy)propan-2-ol is sourced from PubChem (CID 62269183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).