1-(ethylamino)-2-methyl-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol

C16H27NO2 — CID 66335781

IUPAC1-(ethylamino)-2-methyl-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol
SMILESCCNCC(C)(O)COc1ccc(C(C)C)c(C)c1
InChIInChI=1S/C16H27NO2/c1-6-17-10-16(5,18)11-19-14-7-8-15(12(2)3)13(4)9-14/h7-9,12,17-18H,6,10-11H2,1-5H3
InChIKeySSXLTQIUSXKTCS-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.86
Rot. Bonds7

About 1-(ethylamino)-2-methyl-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol

1-(ethylamino)-2-methyl-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol (PubChem CID 66335781) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 1-(ethylamino)-2-methyl-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-(ethylamino)-2-methyl-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol
PubChem CID66335781
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name1-(ethylamino)-2-methyl-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol
SMILESCCNCC(C)(O)COc1ccc(C(C)C)c(C)c1
InChIInChI=1S/C16H27NO2/c1-6-17-10-16(5,18)11-19-14-7-8-15(12(2)3)13(4)9-14/h7-9,12,17-18H,6,10-11H2,1-5H3
InChIKeySSXLTQIUSXKTCS-UHFFFAOYSA-N
XLogP2.86
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-1-(3-methyl-4-propan-2-ylphenoxy)-3-(propylamino)propan-2-ol
CID 66335780
1-(4-chloro-3,5-dimethylphenoxy)-3-(ethylamino)-2-methylpropan-2-ol
CID 66336408
1-(ethylamino)-3-(4-iodophenoxy)-2-methylpropan-2-ol
CID 66335040
1-(4-bromo-3-methylphenoxy)-2-methyl-3-(propylamino)propan-2-ol
CID 83133948
1-(ethylamino)-2-methyl-3-(4-phenylphenoxy)propan-2-ol
CID 66336102
1-(2,6-dimethylphenoxy)-3-(ethylamino)-2-methylpropan-2-ol
CID 66335778
2-methyl-1-(4-propan-2-ylphenoxy)-3-(propylamino)propan-2-ol
CID 66334410
N-ethyl-3-methyl-2-(3-methyl-4-propan-2-ylphenoxy)butan-1-amine
CID 55195060
1-[(5-chloro-3-pyridinyl)oxy]-3-(ethylamino)-2-methylpropan-2-ol
CID 66335510
2-methyl-N-[3-(3-methyl-4-propan-2-ylphenoxy)propyl]propan-2-amine
CID 2299544
1-[ethyl-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]amino]-2-methylpropan-2-ol
CID 78962368
3-(3-methyl-4-propan-2-ylphenoxy)propan-1-ol
CID 43509991

Frequently Asked Questions

What is the IUPAC name of 1-(ethylamino)-2-methyl-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol?
The IUPAC name of 1-(ethylamino)-2-methyl-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol (CID 66335781) is 1-(ethylamino)-2-methyl-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol.
What is the SMILES notation for 1-(ethylamino)-2-methyl-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol?
The canonical SMILES for 1-(ethylamino)-2-methyl-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol is CCNCC(C)(O)COc1ccc(C(C)C)c(C)c1.
What is the InChIKey of 1-(ethylamino)-2-methyl-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol?
The InChIKey is SSXLTQIUSXKTCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-6-17-10-16(5,18)11-19-14-7-8-15(12(2)3)13(4)9-14/h7-9,12,17-18H,6,10-11H2,1-5H3.
What are the key properties of 1-(ethylamino)-2-methyl-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol?
1-(ethylamino)-2-methyl-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol has a molecular weight of 265.40 g/mol, XLogP of 2.86, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylamino)-2-methyl-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol is sourced from PubChem (CID 66335781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).