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

C14H20BrNO2 — CID 107283630

IUPAC1-(5-bromo-2-methylphenoxy)-3-(cyclopropylamino)-2-methylpropan-2-ol
SMILESCc1ccc(Br)cc1OCC(C)(O)CNC1CC1
InChIInChI=1S/C14H20BrNO2/c1-10-3-4-11(15)7-13(10)18-9-14(2,17)8-16-12-5-6-12/h3-4,7,12,16-17H,5-6,8-9H2,1-2H3
InChIKeyFOYVIZKTVWEXFN-UHFFFAOYSA-N
MW314.22 g/mol
LogP2.64
Rot. Bonds6

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

1-(5-bromo-2-methylphenoxy)-3-(cyclopropylamino)-2-methylpropan-2-ol (PubChem CID 107283630) has the molecular formula C14H20BrNO2 and a molecular weight of 314.22 g/mol. Its IUPAC name is 1-(5-bromo-2-methylphenoxy)-3-(cyclopropylamino)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-(5-bromo-2-methylphenoxy)-3-(cyclopropylamino)-2-methylpropan-2-ol
PubChem CID107283630
Molecular FormulaC14H20BrNO2
Molecular Weight314.22 g/mol
Exact Mass313.07
IUPAC Name1-(5-bromo-2-methylphenoxy)-3-(cyclopropylamino)-2-methylpropan-2-ol
SMILESCc1ccc(Br)cc1OCC(C)(O)CNC1CC1
InChIInChI=1S/C14H20BrNO2/c1-10-3-4-11(15)7-13(10)18-9-14(2,17)8-16-12-5-6-12/h3-4,7,12,16-17H,5-6,8-9H2,1-2H3
InChIKeyFOYVIZKTVWEXFN-UHFFFAOYSA-N
XLogP2.64
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.22
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromo-2-chlorophenoxy)-3-(cyclopropylamino)-2-methylpropan-2-ol
CID 66336244
1-(5-bromo-2-methylphenoxy)-3-(ethylamino)-2-methylpropan-2-ol
CID 107283637
1-(5-bromo-2,3-difluorophenoxy)-3-(cyclopropylamino)-2-methylpropan-2-ol
CID 107097942
1-(cyclopropylamino)-3-(2-fluoro-3-methylphenoxy)-2-methylpropan-2-ol
CID 107657515
1-(1-bromonaphthalen-2-yl)oxy-3-(cyclopropylamino)-2-methylpropan-2-ol
CID 66335499
1-(2-chlorophenoxy)-3-(cyclopropylamino)-2-methylpropan-2-ol
CID 66336227
2-(5-bromo-2-methylphenoxy)-N-cyclopropylacetamide
CID 107284188
2-[3-(cyclopropylamino)-2-hydroxy-2-methylpropoxy]benzonitrile
CID 66335480
1-(cyclopropylamino)-3-(2-ethylphenoxy)-2-methylpropan-2-ol
CID 66336099
3-(5-bromo-2-methylphenoxy)-2-hydroxy-2-methylpropanoic acid
CID 107283122
1-(cyclopropylamino)-3-(2-fluoro-4-nitrophenoxy)-2-methylpropan-2-ol
CID 66336708
N-[[2-(5-bromo-2-methylphenoxy)pyrimidin-5-yl]methyl]cyclopropanamine
CID 107285101

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-methylphenoxy)-3-(cyclopropylamino)-2-methylpropan-2-ol?
The IUPAC name of 1-(5-bromo-2-methylphenoxy)-3-(cyclopropylamino)-2-methylpropan-2-ol (CID 107283630) is 1-(5-bromo-2-methylphenoxy)-3-(cyclopropylamino)-2-methylpropan-2-ol.
What is the SMILES notation for 1-(5-bromo-2-methylphenoxy)-3-(cyclopropylamino)-2-methylpropan-2-ol?
The canonical SMILES for 1-(5-bromo-2-methylphenoxy)-3-(cyclopropylamino)-2-methylpropan-2-ol is Cc1ccc(Br)cc1OCC(C)(O)CNC1CC1.
What is the InChIKey of 1-(5-bromo-2-methylphenoxy)-3-(cyclopropylamino)-2-methylpropan-2-ol?
The InChIKey is FOYVIZKTVWEXFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO2/c1-10-3-4-11(15)7-13(10)18-9-14(2,17)8-16-12-5-6-12/h3-4,7,12,16-17H,5-6,8-9H2,1-2H3.
What are the key properties of 1-(5-bromo-2-methylphenoxy)-3-(cyclopropylamino)-2-methylpropan-2-ol?
1-(5-bromo-2-methylphenoxy)-3-(cyclopropylamino)-2-methylpropan-2-ol has a molecular weight of 314.22 g/mol, XLogP of 2.64, 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-(cyclopropylamino)-2-methylpropan-2-ol is sourced from PubChem (CID 107283630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).