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

C16H27NO3 — CID 43090696

IUPAC1-(2-tert-butyl-4-methoxyphenoxy)-3-(ethylamino)propan-2-ol
SMILESCCNCC(O)COc1ccc(OC)cc1C(C)(C)C
InChIInChI=1S/C16H27NO3/c1-6-17-10-12(18)11-20-15-8-7-13(19-5)9-14(15)16(2,3)4/h7-9,12,17-18H,6,10-11H2,1-5H3
InChIKeyQSBXNKGWNGQZDX-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.34
Rot. Bonds7

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

1-(2-tert-butyl-4-methoxyphenoxy)-3-(ethylamino)propan-2-ol (PubChem CID 43090696) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 1-(2-tert-butyl-4-methoxyphenoxy)-3-(ethylamino)propan-2-ol.

Molecular Properties

Compound Name1-(2-tert-butyl-4-methoxyphenoxy)-3-(ethylamino)propan-2-ol
PubChem CID43090696
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC Name1-(2-tert-butyl-4-methoxyphenoxy)-3-(ethylamino)propan-2-ol
SMILESCCNCC(O)COc1ccc(OC)cc1C(C)(C)C
InChIInChI=1S/C16H27NO3/c1-6-17-10-12(18)11-20-15-8-7-13(19-5)9-14(15)16(2,3)4/h7-9,12,17-18H,6,10-11H2,1-5H3
InChIKeyQSBXNKGWNGQZDX-UHFFFAOYSA-N
XLogP2.34
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.34
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)butan-2-ol
CID 60879729
(2R)-1-(2-tert-butyl-4-methoxyphenoxy)-3-(propan-2-ylamino)propan-2-ol
CID 2133971
1-(2-tert-butyl-4-methylphenoxy)-3-(ethylamino)propan-2-ol
CID 43343245
1-(2-tert-butyl-4-methoxyphenoxy)-3-(3-propan-2-yloxypropylamino)propan-2-ol
CID 42909782
(2R)-1-(2-tert-butyl-4-methoxyphenoxy)-3-[2-(2-hydroxyethoxy)ethylamino]propan-2-ol
CID 7998304
2-[[(2R)-3-(2-tert-butyl-4-methoxyphenoxy)-2-hydroxypropyl]amino]-2-methylpropan-1-ol
CID 39915376
[(2S)-3-(2-tert-butyl-4-methoxyphenoxy)-2-hydroxypropyl]-trimethylazanium
CID 100798601
(2S)-1-[bis(2-hydroxyethyl)amino]-3-(2-tert-butyl-4-methoxyphenoxy)propan-2-ol
CID 7998050
1-(1-adamantylamino)-3-(2-tert-butyl-4-methoxyphenoxy)propan-2-ol
CID 132585840
1-(2-tert-butyl-4-methoxyphenoxy)-3-(1-thiophen-2-ylethylamino)propan-2-ol;hydrochloride
CID 138959124
2-[(2-tert-butyl-4-methoxyphenoxy)methyl]-N-ethylprop-2-en-1-amine
CID 103066796

Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butyl-4-methoxyphenoxy)-3-(ethylamino)propan-2-ol?
The IUPAC name of 1-(2-tert-butyl-4-methoxyphenoxy)-3-(ethylamino)propan-2-ol (CID 43090696) is 1-(2-tert-butyl-4-methoxyphenoxy)-3-(ethylamino)propan-2-ol.
What is the SMILES notation for 1-(2-tert-butyl-4-methoxyphenoxy)-3-(ethylamino)propan-2-ol?
The canonical SMILES for 1-(2-tert-butyl-4-methoxyphenoxy)-3-(ethylamino)propan-2-ol is CCNCC(O)COc1ccc(OC)cc1C(C)(C)C.
What is the InChIKey of 1-(2-tert-butyl-4-methoxyphenoxy)-3-(ethylamino)propan-2-ol?
The InChIKey is QSBXNKGWNGQZDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3/c1-6-17-10-12(18)11-20-15-8-7-13(19-5)9-14(15)16(2,3)4/h7-9,12,17-18H,6,10-11H2,1-5H3.
What are the key properties of 1-(2-tert-butyl-4-methoxyphenoxy)-3-(ethylamino)propan-2-ol?
1-(2-tert-butyl-4-methoxyphenoxy)-3-(ethylamino)propan-2-ol has a molecular weight of 281.40 g/mol, XLogP of 2.34, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tert-butyl-4-methoxyphenoxy)-3-(ethylamino)propan-2-ol is sourced from PubChem (CID 43090696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).