1-(2-tert-butylphenoxy)-3-(ethylamino)-2-methylpropan-2-ol

C16H27NO2 — CID 66335927

IUPAC1-(2-tert-butylphenoxy)-3-(ethylamino)-2-methylpropan-2-ol
SMILESCCNCC(C)(O)COc1ccccc1C(C)(C)C
InChIInChI=1S/C16H27NO2/c1-6-17-11-16(5,18)12-19-14-10-8-7-9-13(14)15(2,3)4/h7-10,17-18H,6,11-12H2,1-5H3
InChIKeyGTZULGMUXOTRPR-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.72
Rot. Bonds6

About 1-(2-tert-butylphenoxy)-3-(ethylamino)-2-methylpropan-2-ol

1-(2-tert-butylphenoxy)-3-(ethylamino)-2-methylpropan-2-ol (PubChem CID 66335927) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 1-(2-tert-butylphenoxy)-3-(ethylamino)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-(2-tert-butylphenoxy)-3-(ethylamino)-2-methylpropan-2-ol
PubChem CID66335927
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name1-(2-tert-butylphenoxy)-3-(ethylamino)-2-methylpropan-2-ol
SMILESCCNCC(C)(O)COc1ccccc1C(C)(C)C
InChIInChI=1S/C16H27NO2/c1-6-17-11-16(5,18)12-19-14-10-8-7-9-13(14)15(2,3)4/h7-10,17-18H,6,11-12H2,1-5H3
InChIKeyGTZULGMUXOTRPR-UHFFFAOYSA-N
XLogP2.72
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-tert-butylphenoxy)-N-ethyl-2,2-dimethylpropan-1-amine
CID 79628769
1-amino-3-(2-tert-butylphenoxy)-2-methylpropan-2-ol
CID 64814834
1-(ethylamino)-2-methyl-3-quinolin-8-yloxypropan-2-ol
CID 66336093
2-(2-ethoxyphenyl)-1-(ethylamino)propan-2-ol
CID 62773390
2-(2-tert-butylphenoxy)-N-ethylethanamine
CID 29015338
1-(1-bromonaphthalen-2-yl)oxy-3-(ethylamino)-2-methylpropan-2-ol
CID 66335501
2-(2-tert-butylphenoxy)-N-ethyl-2-methylbutan-1-amine
CID 55195033
1-(ethylamino)-2-methyl-3-(4-phenylphenoxy)propan-2-ol
CID 66336102
1-(4-chloro-2-fluorophenoxy)-3-(ethylamino)-2-methylpropan-2-ol
CID 114267868
1-(2,6-dimethylphenoxy)-3-(ethylamino)-2-methylpropan-2-ol
CID 66335778
1-(2,4-dimethylphenoxy)-3-(ethylamino)-2-methylpropan-2-ol
CID 66336681
1-(2-tert-butyl-4-methylphenoxy)-2-methyl-3-(propylamino)propan-2-ol
CID 66336391

Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butylphenoxy)-3-(ethylamino)-2-methylpropan-2-ol?
The IUPAC name of 1-(2-tert-butylphenoxy)-3-(ethylamino)-2-methylpropan-2-ol (CID 66335927) is 1-(2-tert-butylphenoxy)-3-(ethylamino)-2-methylpropan-2-ol.
What is the SMILES notation for 1-(2-tert-butylphenoxy)-3-(ethylamino)-2-methylpropan-2-ol?
The canonical SMILES for 1-(2-tert-butylphenoxy)-3-(ethylamino)-2-methylpropan-2-ol is CCNCC(C)(O)COc1ccccc1C(C)(C)C.
What is the InChIKey of 1-(2-tert-butylphenoxy)-3-(ethylamino)-2-methylpropan-2-ol?
The InChIKey is GTZULGMUXOTRPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-6-17-11-16(5,18)12-19-14-10-8-7-9-13(14)15(2,3)4/h7-10,17-18H,6,11-12H2,1-5H3.
What are the key properties of 1-(2-tert-butylphenoxy)-3-(ethylamino)-2-methylpropan-2-ol?
1-(2-tert-butylphenoxy)-3-(ethylamino)-2-methylpropan-2-ol has a molecular weight of 265.40 g/mol, XLogP of 2.72, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tert-butylphenoxy)-3-(ethylamino)-2-methylpropan-2-ol is sourced from PubChem (CID 66335927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).