2-phenyl-2-(propylamino)-4-(2,2,2-trifluoroethoxy)butan-1-ol

C15H22F3NO2 — CID 116696045

IUPAC2-phenyl-2-(propylamino)-4-(2,2,2-trifluoroethoxy)butan-1-ol
SMILESCCCNC(CO)(CCOCC(F)(F)F)c1ccccc1
InChIInChI=1S/C15H22F3NO2/c1-2-9-19-14(11-20,13-6-4-3-5-7-13)8-10-21-12-15(16,17)18/h3-7,19-20H,2,8-12H2,1H3
InChIKeyXXOLXNQYFIRDRI-UHFFFAOYSA-N
MW305.34 g/mol
LogP2.84
Rot. Bonds9

About 2-phenyl-2-(propylamino)-4-(2,2,2-trifluoroethoxy)butan-1-ol

2-phenyl-2-(propylamino)-4-(2,2,2-trifluoroethoxy)butan-1-ol (PubChem CID 116696045) has the molecular formula C15H22F3NO2 and a molecular weight of 305.34 g/mol. Its IUPAC name is 2-phenyl-2-(propylamino)-4-(2,2,2-trifluoroethoxy)butan-1-ol.

Molecular Properties

Compound Name2-phenyl-2-(propylamino)-4-(2,2,2-trifluoroethoxy)butan-1-ol
PubChem CID116696045
Molecular FormulaC15H22F3NO2
Molecular Weight305.34 g/mol
Exact Mass305.16
IUPAC Name2-phenyl-2-(propylamino)-4-(2,2,2-trifluoroethoxy)butan-1-ol
SMILESCCCNC(CO)(CCOCC(F)(F)F)c1ccccc1
InChIInChI=1S/C15H22F3NO2/c1-2-9-19-14(11-20,13-6-4-3-5-7-13)8-10-21-12-15(16,17)18/h3-7,19-20H,2,8-12H2,1H3
InChIKeyXXOLXNQYFIRDRI-UHFFFAOYSA-N
XLogP2.84
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(3,3-dimethylbutoxy)-2-phenyl-2-(propylamino)propan-1-ol
CID 66227107
3-hexoxy-2-phenyl-2-(propylamino)propan-1-ol
CID 64811643
3-(2-cyclobutylethoxy)-2-phenyl-2-(propylamino)propan-1-ol
CID 106206861
2-(ethylamino)-2-phenyl-4-(2-propan-2-yloxyethoxy)butan-1-ol
CID 116695489
3-methylsulfanyl-2-phenyl-2-(propylamino)propan-1-ol
CID 64806019
3-phenyl-3-(propylamino)hexan-1-ol
CID 65234672
2-(ethylamino)-2-phenyl-4-(2,2,2-trifluoroethoxy)butanoic acid
CID 116694252
4-(3,3-dimethylbutoxy)-2-(methylamino)-2-phenylbutan-1-ol
CID 116695556
4-(2-methylpropylsulfanyl)-2-phenyl-2-(propylamino)butan-1-ol
CID 116696144
2-(ethylamino)-2-phenyl-4-(1,1,1-trifluoropropan-2-yloxy)butan-1-ol
CID 116695560
4-(2-methoxyethoxy)-2-(methylamino)-2-phenylbutan-1-ol
CID 116695482
4-ethoxy-2-phenyl-2-(propan-2-ylamino)butan-1-ol
CID 116694277

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-2-(propylamino)-4-(2,2,2-trifluoroethoxy)butan-1-ol?
The IUPAC name of 2-phenyl-2-(propylamino)-4-(2,2,2-trifluoroethoxy)butan-1-ol (CID 116696045) is 2-phenyl-2-(propylamino)-4-(2,2,2-trifluoroethoxy)butan-1-ol.
What is the SMILES notation for 2-phenyl-2-(propylamino)-4-(2,2,2-trifluoroethoxy)butan-1-ol?
The canonical SMILES for 2-phenyl-2-(propylamino)-4-(2,2,2-trifluoroethoxy)butan-1-ol is CCCNC(CO)(CCOCC(F)(F)F)c1ccccc1.
What is the InChIKey of 2-phenyl-2-(propylamino)-4-(2,2,2-trifluoroethoxy)butan-1-ol?
The InChIKey is XXOLXNQYFIRDRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3NO2/c1-2-9-19-14(11-20,13-6-4-3-5-7-13)8-10-21-12-15(16,17)18/h3-7,19-20H,2,8-12H2,1H3.
What are the key properties of 2-phenyl-2-(propylamino)-4-(2,2,2-trifluoroethoxy)butan-1-ol?
2-phenyl-2-(propylamino)-4-(2,2,2-trifluoroethoxy)butan-1-ol has a molecular weight of 305.34 g/mol, XLogP of 2.84, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2-(propylamino)-4-(2,2,2-trifluoroethoxy)butan-1-ol is sourced from PubChem (CID 116696045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).