1-phenoxy-3-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethylamino]propan-2-ol

C17H20F3N3O2 — CID 2795974

IUPAC1-phenoxy-3-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethylamino]propan-2-ol
SMILESOC(CNCCNc1ccc(C(F)(F)F)cn1)COc1ccccc1
InChIInChI=1S/C17H20F3N3O2/c18-17(19,20)13-6-7-16(23-10-13)22-9-8-21-11-14(24)12-25-15-4-2-1-3-5-15/h1-7,10,14,21,24H,8-9,11-12H2,(H,22,23)
InChIKeyXSKWCPPGOGQYLW-UHFFFAOYSA-N
MW355.36 g/mol
LogP2.54
Rot. Bonds9

About 1-phenoxy-3-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethylamino]propan-2-ol

1-phenoxy-3-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethylamino]propan-2-ol (PubChem CID 2795974) has the molecular formula C17H20F3N3O2 and a molecular weight of 355.36 g/mol. Its IUPAC name is 1-phenoxy-3-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethylamino]propan-2-ol.

Molecular Properties

Compound Name1-phenoxy-3-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethylamino]propan-2-ol
PubChem CID2795974
Molecular FormulaC17H20F3N3O2
Molecular Weight355.36 g/mol
Exact Mass355.15
IUPAC Name1-phenoxy-3-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethylamino]propan-2-ol
SMILESOC(CNCCNc1ccc(C(F)(F)F)cn1)COc1ccccc1
InChIInChI=1S/C17H20F3N3O2/c18-17(19,20)13-6-7-16(23-10-13)22-9-8-21-11-14(24)12-25-15-4-2-1-3-5-15/h1-7,10,14,21,24H,8-9,11-12H2,(H,22,23)
InChIKeyXSKWCPPGOGQYLW-UHFFFAOYSA-N
XLogP2.54
TPSA66.41 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.36
LogP ≤ 52.54
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-phenoxy-3-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethylamino]propan-2-ol?
The IUPAC name of 1-phenoxy-3-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethylamino]propan-2-ol (CID 2795974) is 1-phenoxy-3-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethylamino]propan-2-ol.
What is the SMILES notation for 1-phenoxy-3-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethylamino]propan-2-ol?
The canonical SMILES for 1-phenoxy-3-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethylamino]propan-2-ol is OC(CNCCNc1ccc(C(F)(F)F)cn1)COc1ccccc1.
What is the InChIKey of 1-phenoxy-3-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethylamino]propan-2-ol?
The InChIKey is XSKWCPPGOGQYLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3N3O2/c18-17(19,20)13-6-7-16(23-10-13)22-9-8-21-11-14(24)12-25-15-4-2-1-3-5-15/h1-7,10,14,21,24H,8-9,11-12H2,(H,22,23).
What are the key properties of 1-phenoxy-3-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethylamino]propan-2-ol?
1-phenoxy-3-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethylamino]propan-2-ol has a molecular weight of 355.36 g/mol, XLogP of 2.54, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenoxy-3-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethylamino]propan-2-ol is sourced from PubChem (CID 2795974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).