1-[1-(5-fluoro-2-pyridinyl)propylamino]-4-methoxy-2-methylbutan-2-ol

C14H23FN2O2 — CID 103948352

IUPAC1-[1-(5-fluoro-2-pyridinyl)propylamino]-4-methoxy-2-methylbutan-2-ol
SMILESCCC(NCC(C)(O)CCOC)c1ccc(F)cn1
InChIInChI=1S/C14H23FN2O2/c1-4-12(13-6-5-11(15)9-16-13)17-10-14(2,18)7-8-19-3/h5-6,9,12,17-18H,4,7-8,10H2,1-3H3
InChIKeyDOGGUISEBGANSL-UHFFFAOYSA-N
MW270.35 g/mol
LogP2.05
Rot. Bonds8

About 1-[1-(5-fluoro-2-pyridinyl)propylamino]-4-methoxy-2-methylbutan-2-ol

1-[1-(5-fluoro-2-pyridinyl)propylamino]-4-methoxy-2-methylbutan-2-ol (PubChem CID 103948352) has the molecular formula C14H23FN2O2 and a molecular weight of 270.35 g/mol. Its IUPAC name is 1-[1-(5-fluoro-2-pyridinyl)propylamino]-4-methoxy-2-methylbutan-2-ol.

Molecular Properties

Compound Name1-[1-(5-fluoro-2-pyridinyl)propylamino]-4-methoxy-2-methylbutan-2-ol
PubChem CID103948352
Molecular FormulaC14H23FN2O2
Molecular Weight270.35 g/mol
Exact Mass270.17
IUPAC Name1-[1-(5-fluoro-2-pyridinyl)propylamino]-4-methoxy-2-methylbutan-2-ol
SMILESCCC(NCC(C)(O)CCOC)c1ccc(F)cn1
InChIInChI=1S/C14H23FN2O2/c1-4-12(13-6-5-11(15)9-16-13)17-10-14(2,18)7-8-19-3/h5-6,9,12,17-18H,4,7-8,10H2,1-3H3
InChIKeyDOGGUISEBGANSL-UHFFFAOYSA-N
XLogP2.05
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-fluoro-2-pyridinyl)propylamino]-4-methoxy-2-methylbutan-2-ol?
The IUPAC name of 1-[1-(5-fluoro-2-pyridinyl)propylamino]-4-methoxy-2-methylbutan-2-ol (CID 103948352) is 1-[1-(5-fluoro-2-pyridinyl)propylamino]-4-methoxy-2-methylbutan-2-ol.
What is the SMILES notation for 1-[1-(5-fluoro-2-pyridinyl)propylamino]-4-methoxy-2-methylbutan-2-ol?
The canonical SMILES for 1-[1-(5-fluoro-2-pyridinyl)propylamino]-4-methoxy-2-methylbutan-2-ol is CCC(NCC(C)(O)CCOC)c1ccc(F)cn1.
What is the InChIKey of 1-[1-(5-fluoro-2-pyridinyl)propylamino]-4-methoxy-2-methylbutan-2-ol?
The InChIKey is DOGGUISEBGANSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN2O2/c1-4-12(13-6-5-11(15)9-16-13)17-10-14(2,18)7-8-19-3/h5-6,9,12,17-18H,4,7-8,10H2,1-3H3.
What are the key properties of 1-[1-(5-fluoro-2-pyridinyl)propylamino]-4-methoxy-2-methylbutan-2-ol?
1-[1-(5-fluoro-2-pyridinyl)propylamino]-4-methoxy-2-methylbutan-2-ol has a molecular weight of 270.35 g/mol, XLogP of 2.05, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-fluoro-2-pyridinyl)propylamino]-4-methoxy-2-methylbutan-2-ol is sourced from PubChem (CID 103948352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).