1-(5-bromo-2-methylphenoxy)-3-(ethylamino)-2-methylpropan-2-ol

C13H20BrNO2 — CID 107283637

IUPAC1-(5-bromo-2-methylphenoxy)-3-(ethylamino)-2-methylpropan-2-ol
SMILESCCNCC(C)(O)COc1cc(Br)ccc1C
InChIInChI=1S/C13H20BrNO2/c1-4-15-8-13(3,16)9-17-12-7-11(14)6-5-10(12)2/h5-7,15-16H,4,8-9H2,1-3H3
InChIKeyYWLBGCUXOYICQC-UHFFFAOYSA-N
MW302.21 g/mol
LogP2.50
Rot. Bonds6

About 1-(5-bromo-2-methylphenoxy)-3-(ethylamino)-2-methylpropan-2-ol

1-(5-bromo-2-methylphenoxy)-3-(ethylamino)-2-methylpropan-2-ol (PubChem CID 107283637) has the molecular formula C13H20BrNO2 and a molecular weight of 302.21 g/mol. Its IUPAC name is 1-(5-bromo-2-methylphenoxy)-3-(ethylamino)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-(5-bromo-2-methylphenoxy)-3-(ethylamino)-2-methylpropan-2-ol
PubChem CID107283637
Molecular FormulaC13H20BrNO2
Molecular Weight302.21 g/mol
Exact Mass301.07
IUPAC Name1-(5-bromo-2-methylphenoxy)-3-(ethylamino)-2-methylpropan-2-ol
SMILESCCNCC(C)(O)COc1cc(Br)ccc1C
InChIInChI=1S/C13H20BrNO2/c1-4-15-8-13(3,16)9-17-12-7-11(14)6-5-10(12)2/h5-7,15-16H,4,8-9H2,1-3H3
InChIKeyYWLBGCUXOYICQC-UHFFFAOYSA-N
XLogP2.50
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.21
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromo-2-methylphenoxy)-3-(cyclopropylamino)-2-methylpropan-2-ol
CID 107283630
1-(2,4-dimethylphenoxy)-3-(ethylamino)-2-methylpropan-2-ol
CID 66336681
1-(2,6-dimethylphenoxy)-3-(ethylamino)-2-methylpropan-2-ol
CID 66335778
3-(5-bromo-2-methylphenoxy)-2-hydroxy-2-methylpropanoic acid
CID 107283122
3-(2,5-dimethylphenoxy)-N-ethyl-2,2-dimethylpropan-1-amine
CID 79627041
1-(1-bromonaphthalen-2-yl)oxy-3-(ethylamino)-2-methylpropan-2-ol
CID 66335501
1-(4-chloro-3,5-dimethylphenoxy)-3-(ethylamino)-2-methylpropan-2-ol
CID 66336408
1-(2-tert-butylphenoxy)-3-(ethylamino)-2-methylpropan-2-ol
CID 66335927
1-(4-chloro-2-fluorophenoxy)-3-(ethylamino)-2-methylpropan-2-ol
CID 114267868
2-(5-bromo-2-methylphenoxy)-N-(2-methylbutan-2-yl)acetamide
CID 107284240
1-(3-bromophenoxy)-2-methyl-3-(propylamino)propan-2-ol
CID 66335329
1-(ethylamino)-2-methyl-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol
CID 66335781

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-methylphenoxy)-3-(ethylamino)-2-methylpropan-2-ol?
The IUPAC name of 1-(5-bromo-2-methylphenoxy)-3-(ethylamino)-2-methylpropan-2-ol (CID 107283637) is 1-(5-bromo-2-methylphenoxy)-3-(ethylamino)-2-methylpropan-2-ol.
What is the SMILES notation for 1-(5-bromo-2-methylphenoxy)-3-(ethylamino)-2-methylpropan-2-ol?
The canonical SMILES for 1-(5-bromo-2-methylphenoxy)-3-(ethylamino)-2-methylpropan-2-ol is CCNCC(C)(O)COc1cc(Br)ccc1C.
What is the InChIKey of 1-(5-bromo-2-methylphenoxy)-3-(ethylamino)-2-methylpropan-2-ol?
The InChIKey is YWLBGCUXOYICQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrNO2/c1-4-15-8-13(3,16)9-17-12-7-11(14)6-5-10(12)2/h5-7,15-16H,4,8-9H2,1-3H3.
What are the key properties of 1-(5-bromo-2-methylphenoxy)-3-(ethylamino)-2-methylpropan-2-ol?
1-(5-bromo-2-methylphenoxy)-3-(ethylamino)-2-methylpropan-2-ol has a molecular weight of 302.21 g/mol, XLogP of 2.50, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-methylphenoxy)-3-(ethylamino)-2-methylpropan-2-ol is sourced from PubChem (CID 107283637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).