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

C11H17FN2O — CID 104953695

IUPAC1-[(5-fluoro-3-pyridinyl)methylamino]pentan-2-ol
SMILESCCCC(O)CNCc1cncc(F)c1
InChIInChI=1S/C11H17FN2O/c1-2-3-11(15)8-14-6-9-4-10(12)7-13-5-9/h4-5,7,11,14-15H,2-3,6,8H2,1H3
InChIKeyFJDSQROTJLGFNU-UHFFFAOYSA-N
MW212.27 g/mol
LogP1.47
Rot. Bonds6

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

1-[(5-fluoro-3-pyridinyl)methylamino]pentan-2-ol (PubChem CID 104953695) has the molecular formula C11H17FN2O and a molecular weight of 212.27 g/mol. Its IUPAC name is 1-[(5-fluoro-3-pyridinyl)methylamino]pentan-2-ol.

Molecular Properties

Compound Name1-[(5-fluoro-3-pyridinyl)methylamino]pentan-2-ol
PubChem CID104953695
Molecular FormulaC11H17FN2O
Molecular Weight212.27 g/mol
Exact Mass212.13
IUPAC Name1-[(5-fluoro-3-pyridinyl)methylamino]pentan-2-ol
SMILESCCCC(O)CNCc1cncc(F)c1
InChIInChI=1S/C11H17FN2O/c1-2-3-11(15)8-14-6-9-4-10(12)7-13-5-9/h4-5,7,11,14-15H,2-3,6,8H2,1H3
InChIKeyFJDSQROTJLGFNU-UHFFFAOYSA-N
XLogP1.47
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-fluoro-3-pyridinyl)methyl]-2,3-dimethylbutan-1-amine
CID 104953752
N-[(5-fluoro-3-pyridinyl)methyl]pentan-2-amine
CID 104953314
N-[(5-fluoro-3-pyridinyl)methyl]-3-methylbut-2-en-1-amine
CID 103527914
1-(5-fluoro-3-pyridinyl)-N-[(1-propylcyclopropyl)methyl]methanamine
CID 104953831
N-[(5-fluoro-3-pyridinyl)methyl]-2-methyl-3-pyrrolidin-1-ylpropan-1-amine
CID 104953477
4-[(2-hydroxypentylamino)methyl]-2-methoxyphenol
CID 115978569
N-[2-[(5-fluoro-3-pyridinyl)methylamino]ethyl]acetamide
CID 104953358
1-[(5-bromothiophen-3-yl)methylamino]pentan-2-ol
CID 115623310
1-[(5-methyl-3-pyridinyl)methylamino]pentan-3-ol
CID 102881090
1-[(3-fluoro-4-nitrophenyl)methylamino]pentan-2-ol
CID 113495778
(2R)-1-(3-fluorophenyl)pentan-2-ol
CID 89187255
2-[(5-fluoro-3-pyridinyl)methylamino]-N-propylpropanamide
CID 104953387

Frequently Asked Questions

What is the IUPAC name of 1-[(5-fluoro-3-pyridinyl)methylamino]pentan-2-ol?
The IUPAC name of 1-[(5-fluoro-3-pyridinyl)methylamino]pentan-2-ol (CID 104953695) is 1-[(5-fluoro-3-pyridinyl)methylamino]pentan-2-ol.
What is the SMILES notation for 1-[(5-fluoro-3-pyridinyl)methylamino]pentan-2-ol?
The canonical SMILES for 1-[(5-fluoro-3-pyridinyl)methylamino]pentan-2-ol is CCCC(O)CNCc1cncc(F)c1.
What is the InChIKey of 1-[(5-fluoro-3-pyridinyl)methylamino]pentan-2-ol?
The InChIKey is FJDSQROTJLGFNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2O/c1-2-3-11(15)8-14-6-9-4-10(12)7-13-5-9/h4-5,7,11,14-15H,2-3,6,8H2,1H3.
What are the key properties of 1-[(5-fluoro-3-pyridinyl)methylamino]pentan-2-ol?
1-[(5-fluoro-3-pyridinyl)methylamino]pentan-2-ol has a molecular weight of 212.27 g/mol, XLogP of 1.47, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-fluoro-3-pyridinyl)methylamino]pentan-2-ol is sourced from PubChem (CID 104953695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).