1-(4-bromo-2-chlorophenoxy)-3-(cyclopropylamino)-2-methylpropan-2-ol

C13H17BrClNO2 — CID 66336244

IUPAC1-(4-bromo-2-chlorophenoxy)-3-(cyclopropylamino)-2-methylpropan-2-ol
SMILESCC(O)(CNC1CC1)COc1ccc(Br)cc1Cl
InChIInChI=1S/C13H17BrClNO2/c1-13(17,7-16-10-3-4-10)8-18-12-5-2-9(14)6-11(12)15/h2,5-6,10,16-17H,3-4,7-8H2,1H3
InChIKeyZVEQJGCGYYDOQI-UHFFFAOYSA-N
MW334.64 g/mol
LogP2.98
Rot. Bonds6

About 1-(4-bromo-2-chlorophenoxy)-3-(cyclopropylamino)-2-methylpropan-2-ol

1-(4-bromo-2-chlorophenoxy)-3-(cyclopropylamino)-2-methylpropan-2-ol (PubChem CID 66336244) has the molecular formula C13H17BrClNO2 and a molecular weight of 334.64 g/mol. Its IUPAC name is 1-(4-bromo-2-chlorophenoxy)-3-(cyclopropylamino)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-(4-bromo-2-chlorophenoxy)-3-(cyclopropylamino)-2-methylpropan-2-ol
PubChem CID66336244
Molecular FormulaC13H17BrClNO2
Molecular Weight334.64 g/mol
Exact Mass333.01
IUPAC Name1-(4-bromo-2-chlorophenoxy)-3-(cyclopropylamino)-2-methylpropan-2-ol
SMILESCC(O)(CNC1CC1)COc1ccc(Br)cc1Cl
InChIInChI=1S/C13H17BrClNO2/c1-13(17,7-16-10-3-4-10)8-18-12-5-2-9(14)6-11(12)15/h2,5-6,10,16-17H,3-4,7-8H2,1H3
InChIKeyZVEQJGCGYYDOQI-UHFFFAOYSA-N
XLogP2.98
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.64
LogP ≤ 52.98
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-chlorophenoxy)-3-(cyclopropylamino)-2-methylpropan-2-ol
CID 66336227
1-(5-bromo-2,3-difluorophenoxy)-3-(cyclopropylamino)-2-methylpropan-2-ol
CID 107097942
1-(1-bromonaphthalen-2-yl)oxy-3-(cyclopropylamino)-2-methylpropan-2-ol
CID 66335499
N-[4-(4-bromo-2-chlorophenoxy)butyl]cyclopropanamine
CID 62485655
1-(3-chlorophenoxy)-3-(cyclopropylamino)-2-methylpropan-2-ol
CID 66335627
1-(cyclopropylamino)-3-(2-ethylphenoxy)-2-methylpropan-2-ol
CID 66336099
4-bromo-2-chloro-1-(2,2-dimethylbutoxy)benzene
CID 126752545
1-(cyclopropylamino)-3-(2-fluoro-3-methylphenoxy)-2-methylpropan-2-ol
CID 107657515
2-[3-(cyclopropylamino)-2-hydroxy-2-methylpropoxy]benzonitrile
CID 66335480
N-(1-amino-2-cyclopropylpropan-2-yl)-2-(4-bromo-2-chlorophenoxy)acetamide
CID 119575859
1-(cyclopropylamino)-3-(2-fluoro-4-nitrophenoxy)-2-methylpropan-2-ol
CID 66336708

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-chlorophenoxy)-3-(cyclopropylamino)-2-methylpropan-2-ol?
The IUPAC name of 1-(4-bromo-2-chlorophenoxy)-3-(cyclopropylamino)-2-methylpropan-2-ol (CID 66336244) is 1-(4-bromo-2-chlorophenoxy)-3-(cyclopropylamino)-2-methylpropan-2-ol.
What is the SMILES notation for 1-(4-bromo-2-chlorophenoxy)-3-(cyclopropylamino)-2-methylpropan-2-ol?
The canonical SMILES for 1-(4-bromo-2-chlorophenoxy)-3-(cyclopropylamino)-2-methylpropan-2-ol is CC(O)(CNC1CC1)COc1ccc(Br)cc1Cl.
What is the InChIKey of 1-(4-bromo-2-chlorophenoxy)-3-(cyclopropylamino)-2-methylpropan-2-ol?
The InChIKey is ZVEQJGCGYYDOQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrClNO2/c1-13(17,7-16-10-3-4-10)8-18-12-5-2-9(14)6-11(12)15/h2,5-6,10,16-17H,3-4,7-8H2,1H3.
What are the key properties of 1-(4-bromo-2-chlorophenoxy)-3-(cyclopropylamino)-2-methylpropan-2-ol?
1-(4-bromo-2-chlorophenoxy)-3-(cyclopropylamino)-2-methylpropan-2-ol has a molecular weight of 334.64 g/mol, XLogP of 2.98, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-chlorophenoxy)-3-(cyclopropylamino)-2-methylpropan-2-ol is sourced from PubChem (CID 66336244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).