2-(3-fluoro-4-pyridinyl)-1-(propylamino)propan-2-ol

C11H17FN2O — CID 104739354

IUPAC2-(3-fluoro-4-pyridinyl)-1-(propylamino)propan-2-ol
SMILESCCCNCC(C)(O)c1ccncc1F
InChIInChI=1S/C11H17FN2O/c1-3-5-14-8-11(2,15)9-4-6-13-7-10(9)12/h4,6-7,14-15H,3,5,8H2,1-2H3
InChIKeyASLCOAOFGPWBOU-UHFFFAOYSA-N
MW212.27 g/mol
LogP1.43
Rot. Bonds5

About 2-(3-fluoro-4-pyridinyl)-1-(propylamino)propan-2-ol

2-(3-fluoro-4-pyridinyl)-1-(propylamino)propan-2-ol (PubChem CID 104739354) has the molecular formula C11H17FN2O and a molecular weight of 212.27 g/mol. Its IUPAC name is 2-(3-fluoro-4-pyridinyl)-1-(propylamino)propan-2-ol.

Molecular Properties

Compound Name2-(3-fluoro-4-pyridinyl)-1-(propylamino)propan-2-ol
PubChem CID104739354
Molecular FormulaC11H17FN2O
Molecular Weight212.27 g/mol
Exact Mass212.13
IUPAC Name2-(3-fluoro-4-pyridinyl)-1-(propylamino)propan-2-ol
SMILESCCCNCC(C)(O)c1ccncc1F
InChIInChI=1S/C11H17FN2O/c1-3-5-14-8-11(2,15)9-4-6-13-7-10(9)12/h4,6-7,14-15H,3,5,8H2,1-2H3
InChIKeyASLCOAOFGPWBOU-UHFFFAOYSA-N
XLogP1.43
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-amino-2-(3-fluoro-4-pyridinyl)butan-2-ol
CID 104739345
6,6,6-trifluoro-2-(3-fluoro-4-pyridinyl)hexan-2-ol
CID 116535810
2-(3-fluoro-4-pyridinyl)-4,4-dimethoxybutan-2-ol
CID 104737628
1-(4-fluorophenyl)-2-(3-fluoro-4-pyridinyl)propan-2-ol
CID 114832951
2-(4-bromo-3-chloro-2-fluorophenyl)-1-(propylamino)propan-2-ol
CID 106763756
1-(2-fluorophenyl)-1-(3-fluoro-4-pyridinyl)propan-1-ol
CID 104737726
1-cyclopropyl-1-(3-fluoro-4-pyridinyl)ethanol
CID 104737502
3-fluoro-N-[2-(propylamino)ethyl]pyridine-4-carboxamide
CID 64951481
2-(3-fluoro-4-pyridinyl)-1-methoxybutan-2-ol
CID 104737591
2-(4-methyl-3-pyridinyl)butan-2-ol
CID 66273296
2-(4-bromo-2-fluorophenyl)-1-(ethylamino)propan-2-ol
CID 82973789
N-[[4-tert-butyl-2-(3-fluoro-4-pyridinyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 114362695

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-pyridinyl)-1-(propylamino)propan-2-ol?
The IUPAC name of 2-(3-fluoro-4-pyridinyl)-1-(propylamino)propan-2-ol (CID 104739354) is 2-(3-fluoro-4-pyridinyl)-1-(propylamino)propan-2-ol.
What is the SMILES notation for 2-(3-fluoro-4-pyridinyl)-1-(propylamino)propan-2-ol?
The canonical SMILES for 2-(3-fluoro-4-pyridinyl)-1-(propylamino)propan-2-ol is CCCNCC(C)(O)c1ccncc1F.
What is the InChIKey of 2-(3-fluoro-4-pyridinyl)-1-(propylamino)propan-2-ol?
The InChIKey is ASLCOAOFGPWBOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2O/c1-3-5-14-8-11(2,15)9-4-6-13-7-10(9)12/h4,6-7,14-15H,3,5,8H2,1-2H3.
What are the key properties of 2-(3-fluoro-4-pyridinyl)-1-(propylamino)propan-2-ol?
2-(3-fluoro-4-pyridinyl)-1-(propylamino)propan-2-ol has a molecular weight of 212.27 g/mol, XLogP of 1.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-pyridinyl)-1-(propylamino)propan-2-ol is sourced from PubChem (CID 104739354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).