1-[2-(2-bromo-4-chloro-6-methylphenoxy)ethylamino]propan-2-ol

C12H17BrClNO2 — CID 2977524

IUPAC1-[2-(2-bromo-4-chloro-6-methylphenoxy)ethylamino]propan-2-ol
SMILESCc1cc(Cl)cc(Br)c1OCCNCC(C)O
InChIInChI=1S/C12H17BrClNO2/c1-8-5-10(14)6-11(13)12(8)17-4-3-15-7-9(2)16/h5-6,9,15-16H,3-4,7H2,1-2H3
InChIKeyUOLJLVGLVNKYNO-UHFFFAOYSA-N
MW322.63 g/mol
LogP2.76
Rot. Bonds6

About 1-[2-(2-bromo-4-chloro-6-methylphenoxy)ethylamino]propan-2-ol

1-[2-(2-bromo-4-chloro-6-methylphenoxy)ethylamino]propan-2-ol (PubChem CID 2977524) has the molecular formula C12H17BrClNO2 and a molecular weight of 322.63 g/mol. Its IUPAC name is 1-[2-(2-bromo-4-chloro-6-methylphenoxy)ethylamino]propan-2-ol.

Molecular Properties

Compound Name1-[2-(2-bromo-4-chloro-6-methylphenoxy)ethylamino]propan-2-ol
PubChem CID2977524
Molecular FormulaC12H17BrClNO2
Molecular Weight322.63 g/mol
Exact Mass321.01
IUPAC Name1-[2-(2-bromo-4-chloro-6-methylphenoxy)ethylamino]propan-2-ol
SMILESCc1cc(Cl)cc(Br)c1OCCNCC(C)O
InChIInChI=1S/C12H17BrClNO2/c1-8-5-10(14)6-11(13)12(8)17-4-3-15-7-9(2)16/h5-6,9,15-16H,3-4,7H2,1-2H3
InChIKeyUOLJLVGLVNKYNO-UHFFFAOYSA-N
XLogP2.76
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.63
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-bromo-4-chloro-6-methylphenoxy)ethylamino]propan-2-ol?
The IUPAC name of 1-[2-(2-bromo-4-chloro-6-methylphenoxy)ethylamino]propan-2-ol (CID 2977524) is 1-[2-(2-bromo-4-chloro-6-methylphenoxy)ethylamino]propan-2-ol.
What is the SMILES notation for 1-[2-(2-bromo-4-chloro-6-methylphenoxy)ethylamino]propan-2-ol?
The canonical SMILES for 1-[2-(2-bromo-4-chloro-6-methylphenoxy)ethylamino]propan-2-ol is Cc1cc(Cl)cc(Br)c1OCCNCC(C)O.
What is the InChIKey of 1-[2-(2-bromo-4-chloro-6-methylphenoxy)ethylamino]propan-2-ol?
The InChIKey is UOLJLVGLVNKYNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrClNO2/c1-8-5-10(14)6-11(13)12(8)17-4-3-15-7-9(2)16/h5-6,9,15-16H,3-4,7H2,1-2H3.
What are the key properties of 1-[2-(2-bromo-4-chloro-6-methylphenoxy)ethylamino]propan-2-ol?
1-[2-(2-bromo-4-chloro-6-methylphenoxy)ethylamino]propan-2-ol has a molecular weight of 322.63 g/mol, XLogP of 2.76, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-bromo-4-chloro-6-methylphenoxy)ethylamino]propan-2-ol is sourced from PubChem (CID 2977524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).