4-[[1-(5-fluoro-2-pyridinyl)-2-methylpropyl]amino]-3-methylbutan-1-ol

C14H23FN2O — CID 110013252

IUPAC4-[[1-(5-fluoro-2-pyridinyl)-2-methylpropyl]amino]-3-methylbutan-1-ol
SMILESCC(CCO)CNC(c1ccc(F)cn1)C(C)C
InChIInChI=1S/C14H23FN2O/c1-10(2)14(17-8-11(3)6-7-18)13-5-4-12(15)9-16-13/h4-5,9-11,14,17-18H,6-8H2,1-3H3
InChIKeyAYAUPDDWUDMABK-UHFFFAOYSA-N
MW254.35 g/mol
LogP2.53
Rot. Bonds7

About 4-[[1-(5-fluoro-2-pyridinyl)-2-methylpropyl]amino]-3-methylbutan-1-ol

4-[[1-(5-fluoro-2-pyridinyl)-2-methylpropyl]amino]-3-methylbutan-1-ol (PubChem CID 110013252) has the molecular formula C14H23FN2O and a molecular weight of 254.35 g/mol. Its IUPAC name is 4-[[1-(5-fluoro-2-pyridinyl)-2-methylpropyl]amino]-3-methylbutan-1-ol.

Molecular Properties

Compound Name4-[[1-(5-fluoro-2-pyridinyl)-2-methylpropyl]amino]-3-methylbutan-1-ol
PubChem CID110013252
Molecular FormulaC14H23FN2O
Molecular Weight254.35 g/mol
Exact Mass254.18
IUPAC Name4-[[1-(5-fluoro-2-pyridinyl)-2-methylpropyl]amino]-3-methylbutan-1-ol
SMILESCC(CCO)CNC(c1ccc(F)cn1)C(C)C
InChIInChI=1S/C14H23FN2O/c1-10(2)14(17-8-11(3)6-7-18)13-5-4-12(15)9-16-13/h4-5,9-11,14,17-18H,6-8H2,1-3H3
InChIKeyAYAUPDDWUDMABK-UHFFFAOYSA-N
XLogP2.53
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[1-(5-fluoro-2-pyridinyl)-2-methylpropyl]amino]-3-methylbutan-1-ol?
The IUPAC name of 4-[[1-(5-fluoro-2-pyridinyl)-2-methylpropyl]amino]-3-methylbutan-1-ol (CID 110013252) is 4-[[1-(5-fluoro-2-pyridinyl)-2-methylpropyl]amino]-3-methylbutan-1-ol.
What is the SMILES notation for 4-[[1-(5-fluoro-2-pyridinyl)-2-methylpropyl]amino]-3-methylbutan-1-ol?
The canonical SMILES for 4-[[1-(5-fluoro-2-pyridinyl)-2-methylpropyl]amino]-3-methylbutan-1-ol is CC(CCO)CNC(c1ccc(F)cn1)C(C)C.
What is the InChIKey of 4-[[1-(5-fluoro-2-pyridinyl)-2-methylpropyl]amino]-3-methylbutan-1-ol?
The InChIKey is AYAUPDDWUDMABK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN2O/c1-10(2)14(17-8-11(3)6-7-18)13-5-4-12(15)9-16-13/h4-5,9-11,14,17-18H,6-8H2,1-3H3.
What are the key properties of 4-[[1-(5-fluoro-2-pyridinyl)-2-methylpropyl]amino]-3-methylbutan-1-ol?
4-[[1-(5-fluoro-2-pyridinyl)-2-methylpropyl]amino]-3-methylbutan-1-ol has a molecular weight of 254.35 g/mol, XLogP of 2.53, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(5-fluoro-2-pyridinyl)-2-methylpropyl]amino]-3-methylbutan-1-ol is sourced from PubChem (CID 110013252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).