2-(ethylamino)-2-phenyl-4-(1,1,1-trifluoropropan-2-yloxy)butan-1-ol

C15H22F3NO2 — CID 116695560

IUPAC2-(ethylamino)-2-phenyl-4-(1,1,1-trifluoropropan-2-yloxy)butan-1-ol
SMILESCCNC(CO)(CCOC(C)C(F)(F)F)c1ccccc1
InChIInChI=1S/C15H22F3NO2/c1-3-19-14(11-20,13-7-5-4-6-8-13)9-10-21-12(2)15(16,17)18/h4-8,12,19-20H,3,9-11H2,1-2H3
InChIKeyDRQQQPXQJCEICP-UHFFFAOYSA-N
MW305.34 g/mol
LogP2.84
Rot. Bonds8

About 2-(ethylamino)-2-phenyl-4-(1,1,1-trifluoropropan-2-yloxy)butan-1-ol

2-(ethylamino)-2-phenyl-4-(1,1,1-trifluoropropan-2-yloxy)butan-1-ol (PubChem CID 116695560) has the molecular formula C15H22F3NO2 and a molecular weight of 305.34 g/mol. Its IUPAC name is 2-(ethylamino)-2-phenyl-4-(1,1,1-trifluoropropan-2-yloxy)butan-1-ol.

Molecular Properties

Compound Name2-(ethylamino)-2-phenyl-4-(1,1,1-trifluoropropan-2-yloxy)butan-1-ol
PubChem CID116695560
Molecular FormulaC15H22F3NO2
Molecular Weight305.34 g/mol
Exact Mass305.16
IUPAC Name2-(ethylamino)-2-phenyl-4-(1,1,1-trifluoropropan-2-yloxy)butan-1-ol
SMILESCCNC(CO)(CCOC(C)C(F)(F)F)c1ccccc1
InChIInChI=1S/C15H22F3NO2/c1-3-19-14(11-20,13-7-5-4-6-8-13)9-10-21-12(2)15(16,17)18/h4-8,12,19-20H,3,9-11H2,1-2H3
InChIKeyDRQQQPXQJCEICP-UHFFFAOYSA-N
XLogP2.84
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-butan-2-yloxy-2-(ethylamino)-2-phenylbutan-1-ol
CID 116695550
2-(ethylamino)-2-phenyl-4-(2-propan-2-yloxyethoxy)butan-1-ol
CID 116695489
2-(ethylamino)-4-pentan-2-yloxy-2-phenylbutan-1-ol
CID 102988159
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-phenyl-2-(propylamino)-4-(2,2,2-trifluoroethoxy)butan-1-ol
CID 116696045
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-[1-cyclopropylethyl(methyl)amino]-2-(ethylamino)-2-phenylbutan-1-ol
CID 116695160

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-2-phenyl-4-(1,1,1-trifluoropropan-2-yloxy)butan-1-ol?
The IUPAC name of 2-(ethylamino)-2-phenyl-4-(1,1,1-trifluoropropan-2-yloxy)butan-1-ol (CID 116695560) is 2-(ethylamino)-2-phenyl-4-(1,1,1-trifluoropropan-2-yloxy)butan-1-ol.
What is the SMILES notation for 2-(ethylamino)-2-phenyl-4-(1,1,1-trifluoropropan-2-yloxy)butan-1-ol?
The canonical SMILES for 2-(ethylamino)-2-phenyl-4-(1,1,1-trifluoropropan-2-yloxy)butan-1-ol is CCNC(CO)(CCOC(C)C(F)(F)F)c1ccccc1.
What is the InChIKey of 2-(ethylamino)-2-phenyl-4-(1,1,1-trifluoropropan-2-yloxy)butan-1-ol?
The InChIKey is DRQQQPXQJCEICP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3NO2/c1-3-19-14(11-20,13-7-5-4-6-8-13)9-10-21-12(2)15(16,17)18/h4-8,12,19-20H,3,9-11H2,1-2H3.
What are the key properties of 2-(ethylamino)-2-phenyl-4-(1,1,1-trifluoropropan-2-yloxy)butan-1-ol?
2-(ethylamino)-2-phenyl-4-(1,1,1-trifluoropropan-2-yloxy)butan-1-ol has a molecular weight of 305.34 g/mol, XLogP of 2.84, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-2-phenyl-4-(1,1,1-trifluoropropan-2-yloxy)butan-1-ol is sourced from PubChem (CID 116695560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).