1-(tert-butylamino)-3-[[5-methyl-3-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-ol

C14H21F3N2O2 — CID 12919771

IUPAC1-(tert-butylamino)-3-[[5-methyl-3-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-ol
SMILESCc1cnc(OCC(O)CNC(C)(C)C)c(C(F)(F)F)c1
InChIInChI=1S/C14H21F3N2O2/c1-9-5-11(14(15,16)17)12(18-6-9)21-8-10(20)7-19-13(2,3)4/h5-6,10,19-20H,7-8H2,1-4H3
InChIKeyRCNTVYXTCZYHQO-UHFFFAOYSA-N
MW306.33 g/mol
LogP2.54
Rot. Bonds5

About 1-(tert-butylamino)-3-[[5-methyl-3-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-ol

1-(tert-butylamino)-3-[[5-methyl-3-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-ol (PubChem CID 12919771) has the molecular formula C14H21F3N2O2 and a molecular weight of 306.33 g/mol. Its IUPAC name is 1-(tert-butylamino)-3-[[5-methyl-3-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-ol.

Molecular Properties

Compound Name1-(tert-butylamino)-3-[[5-methyl-3-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-ol
PubChem CID12919771
Molecular FormulaC14H21F3N2O2
Molecular Weight306.33 g/mol
Exact Mass306.16
IUPAC Name1-(tert-butylamino)-3-[[5-methyl-3-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-ol
SMILESCc1cnc(OCC(O)CNC(C)(C)C)c(C(F)(F)F)c1
InChIInChI=1S/C14H21F3N2O2/c1-9-5-11(14(15,16)17)12(18-6-9)21-8-10(20)7-19-13(2,3)4/h5-6,10,19-20H,7-8H2,1-4H3
InChIKeyRCNTVYXTCZYHQO-UHFFFAOYSA-N
XLogP2.54
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(tert-butylamino)-3-[[5-methyl-3-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-ol?
The IUPAC name of 1-(tert-butylamino)-3-[[5-methyl-3-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-ol (CID 12919771) is 1-(tert-butylamino)-3-[[5-methyl-3-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-ol.
What is the SMILES notation for 1-(tert-butylamino)-3-[[5-methyl-3-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-ol?
The canonical SMILES for 1-(tert-butylamino)-3-[[5-methyl-3-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-ol is Cc1cnc(OCC(O)CNC(C)(C)C)c(C(F)(F)F)c1.
What is the InChIKey of 1-(tert-butylamino)-3-[[5-methyl-3-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-ol?
The InChIKey is RCNTVYXTCZYHQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N2O2/c1-9-5-11(14(15,16)17)12(18-6-9)21-8-10(20)7-19-13(2,3)4/h5-6,10,19-20H,7-8H2,1-4H3.
What are the key properties of 1-(tert-butylamino)-3-[[5-methyl-3-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-ol?
1-(tert-butylamino)-3-[[5-methyl-3-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-ol has a molecular weight of 306.33 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(tert-butylamino)-3-[[5-methyl-3-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-ol is sourced from PubChem (CID 12919771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).