1-(tert-butylamino)-2-(5-fluoro-2-pyridinyl)propan-2-ol

C12H19FN2O — CID 83129340

IUPAC1-(tert-butylamino)-2-(5-fluoro-2-pyridinyl)propan-2-ol
SMILESCC(C)(C)NCC(C)(O)c1ccc(F)cn1
InChIInChI=1S/C12H19FN2O/c1-11(2,3)15-8-12(4,16)10-6-5-9(13)7-14-10/h5-7,15-16H,8H2,1-4H3
InChIKeyNKLGICGNTPEUGB-UHFFFAOYSA-N
MW226.29 g/mol
LogP1.82
Rot. Bonds3

About 1-(tert-butylamino)-2-(5-fluoro-2-pyridinyl)propan-2-ol

1-(tert-butylamino)-2-(5-fluoro-2-pyridinyl)propan-2-ol (PubChem CID 83129340) has the molecular formula C12H19FN2O and a molecular weight of 226.29 g/mol. Its IUPAC name is 1-(tert-butylamino)-2-(5-fluoro-2-pyridinyl)propan-2-ol.

Molecular Properties

Compound Name1-(tert-butylamino)-2-(5-fluoro-2-pyridinyl)propan-2-ol
PubChem CID83129340
Molecular FormulaC12H19FN2O
Molecular Weight226.29 g/mol
Exact Mass226.15
IUPAC Name1-(tert-butylamino)-2-(5-fluoro-2-pyridinyl)propan-2-ol
SMILESCC(C)(C)NCC(C)(O)c1ccc(F)cn1
InChIInChI=1S/C12H19FN2O/c1-11(2,3)15-8-12(4,16)10-6-5-9(13)7-14-10/h5-7,15-16H,8H2,1-4H3
InChIKeyNKLGICGNTPEUGB-UHFFFAOYSA-N
XLogP1.82
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.29
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(tert-butylamino)-2-(5-fluoro-2-pyridinyl)propan-2-ol?
The IUPAC name of 1-(tert-butylamino)-2-(5-fluoro-2-pyridinyl)propan-2-ol (CID 83129340) is 1-(tert-butylamino)-2-(5-fluoro-2-pyridinyl)propan-2-ol.
What is the SMILES notation for 1-(tert-butylamino)-2-(5-fluoro-2-pyridinyl)propan-2-ol?
The canonical SMILES for 1-(tert-butylamino)-2-(5-fluoro-2-pyridinyl)propan-2-ol is CC(C)(C)NCC(C)(O)c1ccc(F)cn1.
What is the InChIKey of 1-(tert-butylamino)-2-(5-fluoro-2-pyridinyl)propan-2-ol?
The InChIKey is NKLGICGNTPEUGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2O/c1-11(2,3)15-8-12(4,16)10-6-5-9(13)7-14-10/h5-7,15-16H,8H2,1-4H3.
What are the key properties of 1-(tert-butylamino)-2-(5-fluoro-2-pyridinyl)propan-2-ol?
1-(tert-butylamino)-2-(5-fluoro-2-pyridinyl)propan-2-ol has a molecular weight of 226.29 g/mol, XLogP of 1.82, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(tert-butylamino)-2-(5-fluoro-2-pyridinyl)propan-2-ol is sourced from PubChem (CID 83129340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).