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

C12H17F3N2O — CID 61146387

IUPAC3-[propan-2-yl-[5-(trifluoromethyl)-2-pyridinyl]amino]propan-1-ol
SMILESCC(C)N(CCCO)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C12H17F3N2O/c1-9(2)17(6-3-7-18)11-5-4-10(8-16-11)12(13,14)15/h4-5,8-9,18H,3,6-7H2,1-2H3
InChIKeyAPWKEBAUVAELKO-UHFFFAOYSA-N
MW262.27 g/mol
LogP2.70
Rot. Bonds5

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

3-[propan-2-yl-[5-(trifluoromethyl)-2-pyridinyl]amino]propan-1-ol (PubChem CID 61146387) has the molecular formula C12H17F3N2O and a molecular weight of 262.27 g/mol. Its IUPAC name is 3-[propan-2-yl-[5-(trifluoromethyl)-2-pyridinyl]amino]propan-1-ol.

Molecular Properties

Compound Name3-[propan-2-yl-[5-(trifluoromethyl)-2-pyridinyl]amino]propan-1-ol
PubChem CID61146387
Molecular FormulaC12H17F3N2O
Molecular Weight262.27 g/mol
Exact Mass262.13
IUPAC Name3-[propan-2-yl-[5-(trifluoromethyl)-2-pyridinyl]amino]propan-1-ol
SMILESCC(C)N(CCCO)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C12H17F3N2O/c1-9(2)17(6-3-7-18)11-5-4-10(8-16-11)12(13,14)15/h4-5,8-9,18H,3,6-7H2,1-2H3
InChIKeyAPWKEBAUVAELKO-UHFFFAOYSA-N
XLogP2.70
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[propan-2-yl-[5-(trifluoromethyl)-2-pyridinyl]amino]propan-1-ol?
The IUPAC name of 3-[propan-2-yl-[5-(trifluoromethyl)-2-pyridinyl]amino]propan-1-ol (CID 61146387) is 3-[propan-2-yl-[5-(trifluoromethyl)-2-pyridinyl]amino]propan-1-ol.
What is the SMILES notation for 3-[propan-2-yl-[5-(trifluoromethyl)-2-pyridinyl]amino]propan-1-ol?
The canonical SMILES for 3-[propan-2-yl-[5-(trifluoromethyl)-2-pyridinyl]amino]propan-1-ol is CC(C)N(CCCO)c1ccc(C(F)(F)F)cn1.
What is the InChIKey of 3-[propan-2-yl-[5-(trifluoromethyl)-2-pyridinyl]amino]propan-1-ol?
The InChIKey is APWKEBAUVAELKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2O/c1-9(2)17(6-3-7-18)11-5-4-10(8-16-11)12(13,14)15/h4-5,8-9,18H,3,6-7H2,1-2H3.
What are the key properties of 3-[propan-2-yl-[5-(trifluoromethyl)-2-pyridinyl]amino]propan-1-ol?
3-[propan-2-yl-[5-(trifluoromethyl)-2-pyridinyl]amino]propan-1-ol has a molecular weight of 262.27 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[propan-2-yl-[5-(trifluoromethyl)-2-pyridinyl]amino]propan-1-ol is sourced from PubChem (CID 61146387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).