1-(1-bromonaphthalen-2-yl)oxy-3-(cyclopropylamino)-2-methylpropan-2-ol

C17H20BrNO2 — CID 66335499

IUPAC1-(1-bromonaphthalen-2-yl)oxy-3-(cyclopropylamino)-2-methylpropan-2-ol
SMILESCC(O)(CNC1CC1)COc1ccc2ccccc2c1Br
InChIInChI=1S/C17H20BrNO2/c1-17(20,10-19-13-7-8-13)11-21-15-9-6-12-4-2-3-5-14(12)16(15)18/h2-6,9,13,19-20H,7-8,10-11H2,1H3
InChIKeyBRYWXVPUNYSPGJ-UHFFFAOYSA-N
MW350.26 g/mol
LogP3.48
Rot. Bonds6

About 1-(1-bromonaphthalen-2-yl)oxy-3-(cyclopropylamino)-2-methylpropan-2-ol

1-(1-bromonaphthalen-2-yl)oxy-3-(cyclopropylamino)-2-methylpropan-2-ol (PubChem CID 66335499) has the molecular formula C17H20BrNO2 and a molecular weight of 350.26 g/mol. Its IUPAC name is 1-(1-bromonaphthalen-2-yl)oxy-3-(cyclopropylamino)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-(1-bromonaphthalen-2-yl)oxy-3-(cyclopropylamino)-2-methylpropan-2-ol
PubChem CID66335499
Molecular FormulaC17H20BrNO2
Molecular Weight350.26 g/mol
Exact Mass349.07
IUPAC Name1-(1-bromonaphthalen-2-yl)oxy-3-(cyclopropylamino)-2-methylpropan-2-ol
SMILESCC(O)(CNC1CC1)COc1ccc2ccccc2c1Br
InChIInChI=1S/C17H20BrNO2/c1-17(20,10-19-13-7-8-13)11-21-15-9-6-12-4-2-3-5-14(12)16(15)18/h2-6,9,13,19-20H,7-8,10-11H2,1H3
InChIKeyBRYWXVPUNYSPGJ-UHFFFAOYSA-N
XLogP3.48
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.26
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-bromonaphthalen-2-yl)oxy-3-(ethylamino)-2-methylpropan-2-ol
CID 66335501
1-(2-chlorophenoxy)-3-(cyclopropylamino)-2-methylpropan-2-ol
CID 66336227
1-(cyclopropylamino)-3-(2-ethylphenoxy)-2-methylpropan-2-ol
CID 66336099
1-(4-bromo-2-chlorophenoxy)-3-(cyclopropylamino)-2-methylpropan-2-ol
CID 66336244
2-[3-(cyclopropylamino)-2-hydroxy-2-methylpropoxy]benzonitrile
CID 66335480
1-(5-bromo-2-methylphenoxy)-3-(cyclopropylamino)-2-methylpropan-2-ol
CID 107283630
3-(1-bromonaphthalen-2-yl)oxy-N,2,2-trimethylpropan-1-amine
CID 79626901
methyl 3-(1-bromonaphthalen-2-yl)oxy-2,2-dimethylpropanoate
CID 79622787
1-(cyclopropylamino)-3-(2-fluoro-3-methylphenoxy)-2-methylpropan-2-ol
CID 107657515
1-(5-bromo-2,3-difluorophenoxy)-3-(cyclopropylamino)-2-methylpropan-2-ol
CID 107097942
1-(cyclopropylamino)-2-methyl-3-naphthalen-1-ylpropan-2-ol
CID 66040349
N-[2-(1-bromonaphthalen-2-yl)oxyethyl]cyclopentanamine;oxalic acid
CID 2949268

Frequently Asked Questions

What is the IUPAC name of 1-(1-bromonaphthalen-2-yl)oxy-3-(cyclopropylamino)-2-methylpropan-2-ol?
The IUPAC name of 1-(1-bromonaphthalen-2-yl)oxy-3-(cyclopropylamino)-2-methylpropan-2-ol (CID 66335499) is 1-(1-bromonaphthalen-2-yl)oxy-3-(cyclopropylamino)-2-methylpropan-2-ol.
What is the SMILES notation for 1-(1-bromonaphthalen-2-yl)oxy-3-(cyclopropylamino)-2-methylpropan-2-ol?
The canonical SMILES for 1-(1-bromonaphthalen-2-yl)oxy-3-(cyclopropylamino)-2-methylpropan-2-ol is CC(O)(CNC1CC1)COc1ccc2ccccc2c1Br.
What is the InChIKey of 1-(1-bromonaphthalen-2-yl)oxy-3-(cyclopropylamino)-2-methylpropan-2-ol?
The InChIKey is BRYWXVPUNYSPGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO2/c1-17(20,10-19-13-7-8-13)11-21-15-9-6-12-4-2-3-5-14(12)16(15)18/h2-6,9,13,19-20H,7-8,10-11H2,1H3.
What are the key properties of 1-(1-bromonaphthalen-2-yl)oxy-3-(cyclopropylamino)-2-methylpropan-2-ol?
1-(1-bromonaphthalen-2-yl)oxy-3-(cyclopropylamino)-2-methylpropan-2-ol has a molecular weight of 350.26 g/mol, XLogP of 3.48, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-bromonaphthalen-2-yl)oxy-3-(cyclopropylamino)-2-methylpropan-2-ol is sourced from PubChem (CID 66335499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).