2-(tert-butylamino)-1-[2-(1,1-difluoroethyl)-4-pyridinyl]ethanol

C13H20F2N2O — CID 162747525

IUPAC2-(tert-butylamino)-1-[2-(1,1-difluoroethyl)-4-pyridinyl]ethanol
SMILESCC(C)(C)NCC(O)c1ccnc(C(C)(F)F)c1
InChIInChI=1S/C13H20F2N2O/c1-12(2,3)17-8-10(18)9-5-6-16-11(7-9)13(4,14)15/h5-7,10,17-18H,8H2,1-4H3
InChIKeyACHBIMAQBJRQLL-UHFFFAOYSA-N
MW258.31 g/mol
LogP2.61
Rot. Bonds4

About 2-(tert-butylamino)-1-[2-(1,1-difluoroethyl)-4-pyridinyl]ethanol

2-(tert-butylamino)-1-[2-(1,1-difluoroethyl)-4-pyridinyl]ethanol (PubChem CID 162747525) has the molecular formula C13H20F2N2O and a molecular weight of 258.31 g/mol. Its IUPAC name is 2-(tert-butylamino)-1-[2-(1,1-difluoroethyl)-4-pyridinyl]ethanol.

Molecular Properties

Compound Name2-(tert-butylamino)-1-[2-(1,1-difluoroethyl)-4-pyridinyl]ethanol
PubChem CID162747525
Molecular FormulaC13H20F2N2O
Molecular Weight258.31 g/mol
Exact Mass258.15
IUPAC Name2-(tert-butylamino)-1-[2-(1,1-difluoroethyl)-4-pyridinyl]ethanol
SMILESCC(C)(C)NCC(O)c1ccnc(C(C)(F)F)c1
InChIInChI=1S/C13H20F2N2O/c1-12(2,3)17-8-10(18)9-5-6-16-11(7-9)13(4,14)15/h5-7,10,17-18H,8H2,1-4H3
InChIKeyACHBIMAQBJRQLL-UHFFFAOYSA-N
XLogP2.61
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.31
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylamino)-1-[2-(1,1-difluoroethyl)-4-pyridinyl]ethanol?
The IUPAC name of 2-(tert-butylamino)-1-[2-(1,1-difluoroethyl)-4-pyridinyl]ethanol (CID 162747525) is 2-(tert-butylamino)-1-[2-(1,1-difluoroethyl)-4-pyridinyl]ethanol.
What is the SMILES notation for 2-(tert-butylamino)-1-[2-(1,1-difluoroethyl)-4-pyridinyl]ethanol?
The canonical SMILES for 2-(tert-butylamino)-1-[2-(1,1-difluoroethyl)-4-pyridinyl]ethanol is CC(C)(C)NCC(O)c1ccnc(C(C)(F)F)c1.
What is the InChIKey of 2-(tert-butylamino)-1-[2-(1,1-difluoroethyl)-4-pyridinyl]ethanol?
The InChIKey is ACHBIMAQBJRQLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F2N2O/c1-12(2,3)17-8-10(18)9-5-6-16-11(7-9)13(4,14)15/h5-7,10,17-18H,8H2,1-4H3.
What are the key properties of 2-(tert-butylamino)-1-[2-(1,1-difluoroethyl)-4-pyridinyl]ethanol?
2-(tert-butylamino)-1-[2-(1,1-difluoroethyl)-4-pyridinyl]ethanol has a molecular weight of 258.31 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylamino)-1-[2-(1,1-difluoroethyl)-4-pyridinyl]ethanol is sourced from PubChem (CID 162747525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).