3-[[1-(5-fluoro-2-pyridinyl)propylamino]methyl]pentan-1-ol

C14H23FN2O — CID 112583235

IUPAC3-[[1-(5-fluoro-2-pyridinyl)propylamino]methyl]pentan-1-ol
SMILESCCC(CCO)CNC(CC)c1ccc(F)cn1
InChIInChI=1S/C14H23FN2O/c1-3-11(7-8-18)9-16-13(4-2)14-6-5-12(15)10-17-14/h5-6,10-11,13,16,18H,3-4,7-9H2,1-2H3
InChIKeyIXDZQSSYXADMPS-UHFFFAOYSA-N
MW254.35 g/mol
LogP2.67
Rot. Bonds8

About 3-[[1-(5-fluoro-2-pyridinyl)propylamino]methyl]pentan-1-ol

3-[[1-(5-fluoro-2-pyridinyl)propylamino]methyl]pentan-1-ol (PubChem CID 112583235) has the molecular formula C14H23FN2O and a molecular weight of 254.35 g/mol. Its IUPAC name is 3-[[1-(5-fluoro-2-pyridinyl)propylamino]methyl]pentan-1-ol.

Molecular Properties

Compound Name3-[[1-(5-fluoro-2-pyridinyl)propylamino]methyl]pentan-1-ol
PubChem CID112583235
Molecular FormulaC14H23FN2O
Molecular Weight254.35 g/mol
Exact Mass254.18
IUPAC Name3-[[1-(5-fluoro-2-pyridinyl)propylamino]methyl]pentan-1-ol
SMILESCCC(CCO)CNC(CC)c1ccc(F)cn1
InChIInChI=1S/C14H23FN2O/c1-3-11(7-8-18)9-16-13(4-2)14-6-5-12(15)10-17-14/h5-6,10-11,13,16,18H,3-4,7-9H2,1-2H3
InChIKeyIXDZQSSYXADMPS-UHFFFAOYSA-N
XLogP2.67
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(5-fluoro-2-pyridinyl)propylamino]-2-methylpropan-1-ol
CID 112583184
3-(ethylamino)-3-(5-fluoro-2-pyridinyl)propan-1-ol
CID 83129133
(3R)-3-[1-(5-fluoro-2-pyridinyl)propylamino]butan-1-ol
CID 103948862
N-(2,2-dimethoxyethyl)-1-(5-fluoro-2-pyridinyl)propan-1-amine
CID 112583006
N-(2-ethoxypropyl)-1-(5-fluoro-2-pyridinyl)propan-1-amine
CID 113356923
N-[1-(5-fluoro-2-pyridinyl)propyl]but-2-yn-1-amine
CID 115975737
N,3-diethyl-1-(5-fluoro-2-pyridinyl)heptan-1-amine
CID 79712767
2-[1-(5-fluoro-2-pyridinyl)propylamino]-1-(furan-2-yl)ethanol
CID 110010180
2-[1-(5-fluoro-2-pyridinyl)propylamino]butan-1-ol
CID 112582914
2-[1-(5-fluoro-2-pyridinyl)propylamino]-1-thiophen-3-ylethanol
CID 103948424
N-[1-(5-fluoro-2-pyridinyl)propyl]-3,3-dimethylbutan-1-amine
CID 113356846
N-ethyl-2-[1-(5-fluoro-2-pyridinyl)propylamino]acetamide
CID 112582962

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(5-fluoro-2-pyridinyl)propylamino]methyl]pentan-1-ol?
The IUPAC name of 3-[[1-(5-fluoro-2-pyridinyl)propylamino]methyl]pentan-1-ol (CID 112583235) is 3-[[1-(5-fluoro-2-pyridinyl)propylamino]methyl]pentan-1-ol.
What is the SMILES notation for 3-[[1-(5-fluoro-2-pyridinyl)propylamino]methyl]pentan-1-ol?
The canonical SMILES for 3-[[1-(5-fluoro-2-pyridinyl)propylamino]methyl]pentan-1-ol is CCC(CCO)CNC(CC)c1ccc(F)cn1.
What is the InChIKey of 3-[[1-(5-fluoro-2-pyridinyl)propylamino]methyl]pentan-1-ol?
The InChIKey is IXDZQSSYXADMPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN2O/c1-3-11(7-8-18)9-16-13(4-2)14-6-5-12(15)10-17-14/h5-6,10-11,13,16,18H,3-4,7-9H2,1-2H3.
What are the key properties of 3-[[1-(5-fluoro-2-pyridinyl)propylamino]methyl]pentan-1-ol?
3-[[1-(5-fluoro-2-pyridinyl)propylamino]methyl]pentan-1-ol has a molecular weight of 254.35 g/mol, XLogP of 2.67, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(5-fluoro-2-pyridinyl)propylamino]methyl]pentan-1-ol is sourced from PubChem (CID 112583235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).