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

C16H20BrNO2 — CID 66335501

IUPAC1-(1-bromonaphthalen-2-yl)oxy-3-(ethylamino)-2-methylpropan-2-ol
SMILESCCNCC(C)(O)COc1ccc2ccccc2c1Br
InChIInChI=1S/C16H20BrNO2/c1-3-18-10-16(2,19)11-20-14-9-8-12-6-4-5-7-13(12)15(14)17/h4-9,18-19H,3,10-11H2,1-2H3
InChIKeyGYYZEDGFVYKLIZ-UHFFFAOYSA-N
MW338.24 g/mol
LogP3.34
Rot. Bonds6

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

1-(1-bromonaphthalen-2-yl)oxy-3-(ethylamino)-2-methylpropan-2-ol (PubChem CID 66335501) has the molecular formula C16H20BrNO2 and a molecular weight of 338.24 g/mol. Its IUPAC name is 1-(1-bromonaphthalen-2-yl)oxy-3-(ethylamino)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-(1-bromonaphthalen-2-yl)oxy-3-(ethylamino)-2-methylpropan-2-ol
PubChem CID66335501
Molecular FormulaC16H20BrNO2
Molecular Weight338.24 g/mol
Exact Mass337.07
IUPAC Name1-(1-bromonaphthalen-2-yl)oxy-3-(ethylamino)-2-methylpropan-2-ol
SMILESCCNCC(C)(O)COc1ccc2ccccc2c1Br
InChIInChI=1S/C16H20BrNO2/c1-3-18-10-16(2,19)11-20-14-9-8-12-6-4-5-7-13(12)15(14)17/h4-9,18-19H,3,10-11H2,1-2H3
InChIKeyGYYZEDGFVYKLIZ-UHFFFAOYSA-N
XLogP3.34
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.24
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(1-bromonaphthalen-2-yl)oxy-3-(ethylamino)-2-methylpropan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1-bromonaphthalen-2-yl)oxy-3-(cyclopropylamino)-2-methylpropan-2-ol
CID 66335499
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-(2-tert-butylphenoxy)-3-(ethylamino)-2-methylpropan-2-ol
CID 66335927
1-(ethylamino)-2-methyl-3-quinolin-8-yloxypropan-2-ol
CID 66336093
1-(5-bromo-2-methylphenoxy)-3-(ethylamino)-2-methylpropan-2-ol
CID 107283637
1-(2,4-dimethylphenoxy)-3-(ethylamino)-2-methylpropan-2-ol
CID 66336681
N-ethyl-2,2-dimethyl-3-naphthalen-1-yloxypropan-1-amine
CID 79626722
methyl 2-(1-bromonaphthalen-2-yl)oxyacetate
CID 4779140
tert-butyl 2-(1-bromonaphthalen-2-yl)oxyacetate
CID 58522023
1-(ethylamino)-2-methyl-3-(4-phenylphenoxy)propan-2-ol
CID 66336102
2-(1-bromonaphthalen-2-yl)oxy-N-ethylpropan-1-amine
CID 55077307

Frequently Asked Questions

What is the IUPAC name of 1-(1-bromonaphthalen-2-yl)oxy-3-(ethylamino)-2-methylpropan-2-ol?
The IUPAC name of 1-(1-bromonaphthalen-2-yl)oxy-3-(ethylamino)-2-methylpropan-2-ol (CID 66335501) is 1-(1-bromonaphthalen-2-yl)oxy-3-(ethylamino)-2-methylpropan-2-ol.
What is the SMILES notation for 1-(1-bromonaphthalen-2-yl)oxy-3-(ethylamino)-2-methylpropan-2-ol?
The canonical SMILES for 1-(1-bromonaphthalen-2-yl)oxy-3-(ethylamino)-2-methylpropan-2-ol is CCNCC(C)(O)COc1ccc2ccccc2c1Br.
What is the InChIKey of 1-(1-bromonaphthalen-2-yl)oxy-3-(ethylamino)-2-methylpropan-2-ol?
The InChIKey is GYYZEDGFVYKLIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrNO2/c1-3-18-10-16(2,19)11-20-14-9-8-12-6-4-5-7-13(12)15(14)17/h4-9,18-19H,3,10-11H2,1-2H3.
What are the key properties of 1-(1-bromonaphthalen-2-yl)oxy-3-(ethylamino)-2-methylpropan-2-ol?
1-(1-bromonaphthalen-2-yl)oxy-3-(ethylamino)-2-methylpropan-2-ol has a molecular weight of 338.24 g/mol, XLogP of 3.34, 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-(ethylamino)-2-methylpropan-2-ol is sourced from PubChem (CID 66335501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).