4-butan-2-yloxy-2-(ethylamino)-2-phenylbutan-1-ol

C16H27NO2 — CID 116695550

IUPAC4-butan-2-yloxy-2-(ethylamino)-2-phenylbutan-1-ol
SMILESCCNC(CO)(CCOC(C)CC)c1ccccc1
InChIInChI=1S/C16H27NO2/c1-4-14(3)19-12-11-16(13-18,17-5-2)15-9-7-6-8-10-15/h6-10,14,17-18H,4-5,11-13H2,1-3H3
InChIKeyXLGOWUQYSWWNEG-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.69
Rot. Bonds9

About 4-butan-2-yloxy-2-(ethylamino)-2-phenylbutan-1-ol

4-butan-2-yloxy-2-(ethylamino)-2-phenylbutan-1-ol (PubChem CID 116695550) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 4-butan-2-yloxy-2-(ethylamino)-2-phenylbutan-1-ol.

Molecular Properties

Compound Name4-butan-2-yloxy-2-(ethylamino)-2-phenylbutan-1-ol
PubChem CID116695550
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name4-butan-2-yloxy-2-(ethylamino)-2-phenylbutan-1-ol
SMILESCCNC(CO)(CCOC(C)CC)c1ccccc1
InChIInChI=1S/C16H27NO2/c1-4-14(3)19-12-11-16(13-18,17-5-2)15-9-7-6-8-10-15/h6-10,14,17-18H,4-5,11-13H2,1-3H3
InChIKeyXLGOWUQYSWWNEG-UHFFFAOYSA-N
XLogP2.69
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(ethylamino)-4-pentan-2-yloxy-2-phenylbutan-1-ol
CID 102988159
2-(ethylamino)-2-phenyl-4-(1,1,1-trifluoropropan-2-yloxy)butan-1-ol
CID 116695560
2-(ethylamino)-2-phenyl-4-(2-propan-2-yloxyethoxy)butan-1-ol
CID 116695489
2-(ethylamino)-3-(1-methoxypropan-2-yloxy)-2-phenylpropan-1-ol
CID 64811608
2-(ethylamino)-3-(4-methylpentan-2-yloxy)-2-phenylpropan-1-ol
CID 64802794
2-(ethylamino)-2-phenyl-4-[propan-2-yl(propyl)amino]butan-1-ol
CID 116695123
2-(cyclopropylamino)-4-(1-methoxypropan-2-yloxy)-2-phenylbutan-1-ol
CID 116695403
2-(methylamino)-2-phenyl-4-(2-propan-2-yloxyethoxy)butan-1-ol
CID 116695488
4-ethoxy-2-phenyl-2-(propan-2-ylamino)butan-1-ol
CID 116694277
2-(ethylamino)-4-[3-methoxypropyl(methyl)amino]-2-phenylbutan-1-ol
CID 116694993
2-(ethylamino)-3-methylsulfanyl-2-phenylpropan-1-ol
CID 64806014
(4-butan-2-yloxy-2-phenylbutan-2-yl) hydrogen carbonate
CID 90300409

Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yloxy-2-(ethylamino)-2-phenylbutan-1-ol?
The IUPAC name of 4-butan-2-yloxy-2-(ethylamino)-2-phenylbutan-1-ol (CID 116695550) is 4-butan-2-yloxy-2-(ethylamino)-2-phenylbutan-1-ol.
What is the SMILES notation for 4-butan-2-yloxy-2-(ethylamino)-2-phenylbutan-1-ol?
The canonical SMILES for 4-butan-2-yloxy-2-(ethylamino)-2-phenylbutan-1-ol is CCNC(CO)(CCOC(C)CC)c1ccccc1.
What is the InChIKey of 4-butan-2-yloxy-2-(ethylamino)-2-phenylbutan-1-ol?
The InChIKey is XLGOWUQYSWWNEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-4-14(3)19-12-11-16(13-18,17-5-2)15-9-7-6-8-10-15/h6-10,14,17-18H,4-5,11-13H2,1-3H3.
What are the key properties of 4-butan-2-yloxy-2-(ethylamino)-2-phenylbutan-1-ol?
4-butan-2-yloxy-2-(ethylamino)-2-phenylbutan-1-ol has a molecular weight of 265.40 g/mol, XLogP of 2.69, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yloxy-2-(ethylamino)-2-phenylbutan-1-ol is sourced from PubChem (CID 116695550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).