(2R)-1-(2-tert-butyl-4-methoxyphenoxy)-3-(propan-2-ylamino)propan-2-ol

C17H29NO3 — CID 2133971

IUPAC(2R)-1-(2-tert-butyl-4-methoxyphenoxy)-3-(propan-2-ylamino)propan-2-ol
SMILESCOc1ccc(OC[C@H](O)CNC(C)C)c(C(C)(C)C)c1
InChIInChI=1S/C17H29NO3/c1-12(2)18-10-13(19)11-21-16-8-7-14(20-6)9-15(16)17(3,4)5/h7-9,12-13,18-19H,10-11H2,1-6H3/t13-/m1/s1
InChIKeyLOEXYOOALPUCKX-CYBMUJFWSA-N
MW295.42 g/mol
LogP2.73
Rot. Bonds7

About (2R)-1-(2-tert-butyl-4-methoxyphenoxy)-3-(propan-2-ylamino)propan-2-ol

(2R)-1-(2-tert-butyl-4-methoxyphenoxy)-3-(propan-2-ylamino)propan-2-ol (PubChem CID 2133971) has the molecular formula C17H29NO3 and a molecular weight of 295.42 g/mol. Its IUPAC name is (2R)-1-(2-tert-butyl-4-methoxyphenoxy)-3-(propan-2-ylamino)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-(2-tert-butyl-4-methoxyphenoxy)-3-(propan-2-ylamino)propan-2-ol
PubChem CID2133971
Molecular FormulaC17H29NO3
Molecular Weight295.42 g/mol
Exact Mass295.21
IUPAC Name(2R)-1-(2-tert-butyl-4-methoxyphenoxy)-3-(propan-2-ylamino)propan-2-ol
SMILESCOc1ccc(OC[C@H](O)CNC(C)C)c(C(C)(C)C)c1
InChIInChI=1S/C17H29NO3/c1-12(2)18-10-13(19)11-21-16-8-7-14(20-6)9-15(16)17(3,4)5/h7-9,12-13,18-19H,10-11H2,1-6H3/t13-/m1/s1
InChIKeyLOEXYOOALPUCKX-CYBMUJFWSA-N
XLogP2.73
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.42
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-(2-tert-butyl-4-methoxyphenoxy)-3-(2-methylpropylamino)propan-2-ol
CID 41135244
1-(2-tert-butyl-4-methoxyphenoxy)-3-(ethylamino)propan-2-ol
CID 43090696
1-(2-tert-butyl-4-methylphenoxy)-3-(propan-2-ylamino)propan-2-ol;hydrochloride
CID 22419817
1-(2-tert-butyl-4-methoxyphenoxy)butan-2-ol
CID 60879729
2-[[(2R)-3-(2-tert-butyl-4-methoxyphenoxy)-2-hydroxypropyl]amino]-2-methylpropan-1-ol
CID 39915376
1-(2-tert-butyl-4-methoxyphenoxy)-3-(1-thiophen-2-ylethylamino)propan-2-ol;hydrochloride
CID 138959124
[(2S)-3-(2-tert-butyl-4-methoxyphenoxy)-2-hydroxypropyl]-trimethylazanium
CID 100798601
1-(2-tert-butyl-4-methoxyphenoxy)-3-(3-propan-2-yloxypropylamino)propan-2-ol
CID 42909782
1-(2-amino-5-methoxyphenoxy)-3-(propan-2-ylamino)propan-2-ol
CID 154089660
(2R)-1-(2-tert-butyl-4-methoxyphenoxy)-3-[2-(2-hydroxyethoxy)ethylamino]propan-2-ol
CID 7998304
1-(2-tert-butyl-4-methoxyphenoxy)-3-[[cyclopentyl(thiophen-2-yl)methyl]amino]propan-2-ol
CID 138961003
1-(1-adamantylamino)-3-(2-tert-butyl-4-methoxyphenoxy)propan-2-ol
CID 132585840

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2-tert-butyl-4-methoxyphenoxy)-3-(propan-2-ylamino)propan-2-ol?
The IUPAC name of (2R)-1-(2-tert-butyl-4-methoxyphenoxy)-3-(propan-2-ylamino)propan-2-ol (CID 2133971) is (2R)-1-(2-tert-butyl-4-methoxyphenoxy)-3-(propan-2-ylamino)propan-2-ol.
What is the SMILES notation for (2R)-1-(2-tert-butyl-4-methoxyphenoxy)-3-(propan-2-ylamino)propan-2-ol?
The canonical SMILES for (2R)-1-(2-tert-butyl-4-methoxyphenoxy)-3-(propan-2-ylamino)propan-2-ol is COc1ccc(OC[C@H](O)CNC(C)C)c(C(C)(C)C)c1.
What is the InChIKey of (2R)-1-(2-tert-butyl-4-methoxyphenoxy)-3-(propan-2-ylamino)propan-2-ol?
The InChIKey is LOEXYOOALPUCKX-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H29NO3/c1-12(2)18-10-13(19)11-21-16-8-7-14(20-6)9-15(16)17(3,4)5/h7-9,12-13,18-19H,10-11H2,1-6H3/t13-/m1/s1.
What are the key properties of (2R)-1-(2-tert-butyl-4-methoxyphenoxy)-3-(propan-2-ylamino)propan-2-ol?
(2R)-1-(2-tert-butyl-4-methoxyphenoxy)-3-(propan-2-ylamino)propan-2-ol has a molecular weight of 295.42 g/mol, XLogP of 2.73, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(2-tert-butyl-4-methoxyphenoxy)-3-(propan-2-ylamino)propan-2-ol is sourced from PubChem (CID 2133971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).