1-(4-fluorophenoxy)-3-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethylamino]propan-2-ol

C17H19F4N3O2 — CID 2725960

IUPAC1-(4-fluorophenoxy)-3-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethylamino]propan-2-ol
SMILESOC(CNCCNc1ncccc1C(F)(F)F)COc1ccc(F)cc1
InChIInChI=1S/C17H19F4N3O2/c18-12-3-5-14(6-4-12)26-11-13(25)10-22-8-9-24-16-15(17(19,20)21)2-1-7-23-16/h1-7,13,22,25H,8-11H2,(H,23,24)
InChIKeyONWODZGYBGJKFQ-UHFFFAOYSA-N
MW373.35 g/mol
LogP2.68
Rot. Bonds9

About 1-(4-fluorophenoxy)-3-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethylamino]propan-2-ol

1-(4-fluorophenoxy)-3-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethylamino]propan-2-ol (PubChem CID 2725960) has the molecular formula C17H19F4N3O2 and a molecular weight of 373.35 g/mol. Its IUPAC name is 1-(4-fluorophenoxy)-3-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethylamino]propan-2-ol.

Molecular Properties

Compound Name1-(4-fluorophenoxy)-3-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethylamino]propan-2-ol
PubChem CID2725960
Molecular FormulaC17H19F4N3O2
Molecular Weight373.35 g/mol
Exact Mass373.14
IUPAC Name1-(4-fluorophenoxy)-3-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethylamino]propan-2-ol
SMILESOC(CNCCNc1ncccc1C(F)(F)F)COc1ccc(F)cc1
InChIInChI=1S/C17H19F4N3O2/c18-12-3-5-14(6-4-12)26-11-13(25)10-22-8-9-24-16-15(17(19,20)21)2-1-7-23-16/h1-7,13,22,25H,8-11H2,(H,23,24)
InChIKeyONWODZGYBGJKFQ-UHFFFAOYSA-N
XLogP2.68
TPSA66.41 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.35
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenoxy)-3-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethylamino]propan-2-ol?
The IUPAC name of 1-(4-fluorophenoxy)-3-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethylamino]propan-2-ol (CID 2725960) is 1-(4-fluorophenoxy)-3-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethylamino]propan-2-ol.
What is the SMILES notation for 1-(4-fluorophenoxy)-3-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethylamino]propan-2-ol?
The canonical SMILES for 1-(4-fluorophenoxy)-3-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethylamino]propan-2-ol is OC(CNCCNc1ncccc1C(F)(F)F)COc1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenoxy)-3-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethylamino]propan-2-ol?
The InChIKey is ONWODZGYBGJKFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F4N3O2/c18-12-3-5-14(6-4-12)26-11-13(25)10-22-8-9-24-16-15(17(19,20)21)2-1-7-23-16/h1-7,13,22,25H,8-11H2,(H,23,24).
What are the key properties of 1-(4-fluorophenoxy)-3-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethylamino]propan-2-ol?
1-(4-fluorophenoxy)-3-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethylamino]propan-2-ol has a molecular weight of 373.35 g/mol, XLogP of 2.68, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenoxy)-3-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethylamino]propan-2-ol is sourced from PubChem (CID 2725960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).