2-[(2-bromo-5-methoxyphenyl)methyl-methylamino]-2-methylpropan-1-ol

C13H20BrNO2 — CID 115882380

IUPAC2-[(2-bromo-5-methoxyphenyl)methyl-methylamino]-2-methylpropan-1-ol
SMILESCOc1ccc(Br)c(CN(C)C(C)(C)CO)c1
InChIInChI=1S/C13H20BrNO2/c1-13(2,9-16)15(3)8-10-7-11(17-4)5-6-12(10)14/h5-7,16H,8-9H2,1-4H3
InChIKeyGIGQDEQHMHVRHG-UHFFFAOYSA-N
MW302.21 g/mol
LogP2.66
Rot. Bonds5

About 2-[(2-bromo-5-methoxyphenyl)methyl-methylamino]-2-methylpropan-1-ol

2-[(2-bromo-5-methoxyphenyl)methyl-methylamino]-2-methylpropan-1-ol (PubChem CID 115882380) has the molecular formula C13H20BrNO2 and a molecular weight of 302.21 g/mol. Its IUPAC name is 2-[(2-bromo-5-methoxyphenyl)methyl-methylamino]-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-[(2-bromo-5-methoxyphenyl)methyl-methylamino]-2-methylpropan-1-ol
PubChem CID115882380
Molecular FormulaC13H20BrNO2
Molecular Weight302.21 g/mol
Exact Mass301.07
IUPAC Name2-[(2-bromo-5-methoxyphenyl)methyl-methylamino]-2-methylpropan-1-ol
SMILESCOc1ccc(Br)c(CN(C)C(C)(C)CO)c1
InChIInChI=1S/C13H20BrNO2/c1-13(2,9-16)15(3)8-10-7-11(17-4)5-6-12(10)14/h5-7,16H,8-9H2,1-4H3
InChIKeyGIGQDEQHMHVRHG-UHFFFAOYSA-N
XLogP2.66
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.21
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-chloro-4-methoxyphenyl)methyl-methylamino]-2-methylpropan-1-ol
CID 115133466
2-[2-(2,5-dimethoxyphenyl)ethyl-methylamino]-2-methylpropan-1-ol
CID 115133642
2-[(2-bromo-5-methoxyphenyl)methyl]-2-methylbutan-1-ol
CID 66057917
2-[(2-bromo-4-methylphenyl)methyl-methylamino]-2-methylpropan-1-ol
CID 115882400
2-[(2-bromo-5-methoxyphenyl)methylamino]-2-(hydroxymethyl)propane-1,3-diol
CID 107852401
2-(2-bromo-5-methoxyphenyl)ethanol
CID 10489678
2-[(2-methoxyphenyl)methyl-methylamino]-2-methylpropan-1-ol
CID 115882414
2-[(2-bromo-5-methoxyphenyl)methyl]-2-ethylbutan-1-ol
CID 66060635
2-[(4-bromo-2-methylphenyl)methyl-methylamino]-2-methylpropan-1-ol
CID 115882426
2-[(2-bromo-5-methoxyphenyl)methyl-propylamino]ethanol
CID 65326713
1-(2-bromo-5-methoxyphenyl)-3-methoxy-2,3-dimethylbutan-2-ol
CID 114228340
N-[(2-bromo-5-methoxyphenyl)methyl]-N,2-dimethylprop-2-enamide
CID 102519406

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromo-5-methoxyphenyl)methyl-methylamino]-2-methylpropan-1-ol?
The IUPAC name of 2-[(2-bromo-5-methoxyphenyl)methyl-methylamino]-2-methylpropan-1-ol (CID 115882380) is 2-[(2-bromo-5-methoxyphenyl)methyl-methylamino]-2-methylpropan-1-ol.
What is the SMILES notation for 2-[(2-bromo-5-methoxyphenyl)methyl-methylamino]-2-methylpropan-1-ol?
The canonical SMILES for 2-[(2-bromo-5-methoxyphenyl)methyl-methylamino]-2-methylpropan-1-ol is COc1ccc(Br)c(CN(C)C(C)(C)CO)c1.
What is the InChIKey of 2-[(2-bromo-5-methoxyphenyl)methyl-methylamino]-2-methylpropan-1-ol?
The InChIKey is GIGQDEQHMHVRHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrNO2/c1-13(2,9-16)15(3)8-10-7-11(17-4)5-6-12(10)14/h5-7,16H,8-9H2,1-4H3.
What are the key properties of 2-[(2-bromo-5-methoxyphenyl)methyl-methylamino]-2-methylpropan-1-ol?
2-[(2-bromo-5-methoxyphenyl)methyl-methylamino]-2-methylpropan-1-ol has a molecular weight of 302.21 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromo-5-methoxyphenyl)methyl-methylamino]-2-methylpropan-1-ol is sourced from PubChem (CID 115882380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).