2-[5-bromo-3-(dimethylamino)-2-methoxyphenyl]propan-2-ol

C12H18BrNO2 — CID 58910049

IUPAC2-[5-bromo-3-(dimethylamino)-2-methoxyphenyl]propan-2-ol
SMILESCOc1c(N(C)C)cc(Br)cc1C(C)(C)O
InChIInChI=1S/C12H18BrNO2/c1-12(2,15)9-6-8(13)7-10(14(3)4)11(9)16-5/h6-7,15H,1-5H3
InChIKeySHFVTMCBFIDVIQ-UHFFFAOYSA-N
MW288.19 g/mol
LogP2.75
Rot. Bonds3

About 2-[5-bromo-3-(dimethylamino)-2-methoxyphenyl]propan-2-ol

2-[5-bromo-3-(dimethylamino)-2-methoxyphenyl]propan-2-ol (PubChem CID 58910049) has the molecular formula C12H18BrNO2 and a molecular weight of 288.19 g/mol. Its IUPAC name is 2-[5-bromo-3-(dimethylamino)-2-methoxyphenyl]propan-2-ol.

Molecular Properties

Compound Name2-[5-bromo-3-(dimethylamino)-2-methoxyphenyl]propan-2-ol
PubChem CID58910049
Molecular FormulaC12H18BrNO2
Molecular Weight288.19 g/mol
Exact Mass287.05
IUPAC Name2-[5-bromo-3-(dimethylamino)-2-methoxyphenyl]propan-2-ol
SMILESCOc1c(N(C)C)cc(Br)cc1C(C)(C)O
InChIInChI=1S/C12H18BrNO2/c1-12(2,15)9-6-8(13)7-10(14(3)4)11(9)16-5/h6-7,15H,1-5H3
InChIKeySHFVTMCBFIDVIQ-UHFFFAOYSA-N
XLogP2.75
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.19
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[5-bromo-3-(dimethylamino)-2-methoxyphenyl]propan-2-ol?
The IUPAC name of 2-[5-bromo-3-(dimethylamino)-2-methoxyphenyl]propan-2-ol (CID 58910049) is 2-[5-bromo-3-(dimethylamino)-2-methoxyphenyl]propan-2-ol.
What is the SMILES notation for 2-[5-bromo-3-(dimethylamino)-2-methoxyphenyl]propan-2-ol?
The canonical SMILES for 2-[5-bromo-3-(dimethylamino)-2-methoxyphenyl]propan-2-ol is COc1c(N(C)C)cc(Br)cc1C(C)(C)O.
What is the InChIKey of 2-[5-bromo-3-(dimethylamino)-2-methoxyphenyl]propan-2-ol?
The InChIKey is SHFVTMCBFIDVIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNO2/c1-12(2,15)9-6-8(13)7-10(14(3)4)11(9)16-5/h6-7,15H,1-5H3.
What are the key properties of 2-[5-bromo-3-(dimethylamino)-2-methoxyphenyl]propan-2-ol?
2-[5-bromo-3-(dimethylamino)-2-methoxyphenyl]propan-2-ol has a molecular weight of 288.19 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-bromo-3-(dimethylamino)-2-methoxyphenyl]propan-2-ol is sourced from PubChem (CID 58910049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).