4,4-dimethyl-1-[[4-(trifluoromethyl)-2-pyridinyl]amino]pentan-2-ol

C13H19F3N2O — CID 103736559

IUPAC4,4-dimethyl-1-[[4-(trifluoromethyl)-2-pyridinyl]amino]pentan-2-ol
SMILESCC(C)(C)CC(O)CNc1cc(C(F)(F)F)ccn1
InChIInChI=1S/C13H19F3N2O/c1-12(2,3)7-10(19)8-18-11-6-9(4-5-17-11)13(14,15)16/h4-6,10,19H,7-8H2,1-3H3,(H,17,18)
InChIKeyDPVLEDYIGOUHKJ-UHFFFAOYSA-N
MW276.30 g/mol
LogP3.31
Rot. Bonds4

About 4,4-dimethyl-1-[[4-(trifluoromethyl)-2-pyridinyl]amino]pentan-2-ol

4,4-dimethyl-1-[[4-(trifluoromethyl)-2-pyridinyl]amino]pentan-2-ol (PubChem CID 103736559) has the molecular formula C13H19F3N2O and a molecular weight of 276.30 g/mol. Its IUPAC name is 4,4-dimethyl-1-[[4-(trifluoromethyl)-2-pyridinyl]amino]pentan-2-ol.

Molecular Properties

Compound Name4,4-dimethyl-1-[[4-(trifluoromethyl)-2-pyridinyl]amino]pentan-2-ol
PubChem CID103736559
Molecular FormulaC13H19F3N2O
Molecular Weight276.30 g/mol
Exact Mass276.14
IUPAC Name4,4-dimethyl-1-[[4-(trifluoromethyl)-2-pyridinyl]amino]pentan-2-ol
SMILESCC(C)(C)CC(O)CNc1cc(C(F)(F)F)ccn1
InChIInChI=1S/C13H19F3N2O/c1-12(2,3)7-10(19)8-18-11-6-9(4-5-17-11)13(14,15)16/h4-6,10,19H,7-8H2,1-3H3,(H,17,18)
InChIKeyDPVLEDYIGOUHKJ-UHFFFAOYSA-N
XLogP3.31
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-[[4-(trifluoromethyl)-2-pyridinyl]amino]pentan-2-ol?
The IUPAC name of 4,4-dimethyl-1-[[4-(trifluoromethyl)-2-pyridinyl]amino]pentan-2-ol (CID 103736559) is 4,4-dimethyl-1-[[4-(trifluoromethyl)-2-pyridinyl]amino]pentan-2-ol.
What is the SMILES notation for 4,4-dimethyl-1-[[4-(trifluoromethyl)-2-pyridinyl]amino]pentan-2-ol?
The canonical SMILES for 4,4-dimethyl-1-[[4-(trifluoromethyl)-2-pyridinyl]amino]pentan-2-ol is CC(C)(C)CC(O)CNc1cc(C(F)(F)F)ccn1.
What is the InChIKey of 4,4-dimethyl-1-[[4-(trifluoromethyl)-2-pyridinyl]amino]pentan-2-ol?
The InChIKey is DPVLEDYIGOUHKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2O/c1-12(2,3)7-10(19)8-18-11-6-9(4-5-17-11)13(14,15)16/h4-6,10,19H,7-8H2,1-3H3,(H,17,18).
What are the key properties of 4,4-dimethyl-1-[[4-(trifluoromethyl)-2-pyridinyl]amino]pentan-2-ol?
4,4-dimethyl-1-[[4-(trifluoromethyl)-2-pyridinyl]amino]pentan-2-ol has a molecular weight of 276.30 g/mol, XLogP of 3.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-[[4-(trifluoromethyl)-2-pyridinyl]amino]pentan-2-ol is sourced from PubChem (CID 103736559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).