1-(5-fluoro-2-pyridinyl)-3-[2-methoxyethyl(3-methoxypropyl)amino]propan-1-ol

C15H25FN2O3 — CID 83111321

IUPAC1-(5-fluoro-2-pyridinyl)-3-[2-methoxyethyl(3-methoxypropyl)amino]propan-1-ol
SMILESCOCCCN(CCOC)CCC(O)c1ccc(F)cn1
InChIInChI=1S/C15H25FN2O3/c1-20-10-3-7-18(9-11-21-2)8-6-15(19)14-5-4-13(16)12-17-14/h4-5,12,15,19H,3,6-11H2,1-2H3
InChIKeyABRRMLJLAZUTLN-UHFFFAOYSA-N
MW300.37 g/mol
LogP1.63
Rot. Bonds11

About 1-(5-fluoro-2-pyridinyl)-3-[2-methoxyethyl(3-methoxypropyl)amino]propan-1-ol

1-(5-fluoro-2-pyridinyl)-3-[2-methoxyethyl(3-methoxypropyl)amino]propan-1-ol (PubChem CID 83111321) has the molecular formula C15H25FN2O3 and a molecular weight of 300.37 g/mol. Its IUPAC name is 1-(5-fluoro-2-pyridinyl)-3-[2-methoxyethyl(3-methoxypropyl)amino]propan-1-ol.

Molecular Properties

Compound Name1-(5-fluoro-2-pyridinyl)-3-[2-methoxyethyl(3-methoxypropyl)amino]propan-1-ol
PubChem CID83111321
Molecular FormulaC15H25FN2O3
Molecular Weight300.37 g/mol
Exact Mass300.18
IUPAC Name1-(5-fluoro-2-pyridinyl)-3-[2-methoxyethyl(3-methoxypropyl)amino]propan-1-ol
SMILESCOCCCN(CCOC)CCC(O)c1ccc(F)cn1
InChIInChI=1S/C15H25FN2O3/c1-20-10-3-7-18(9-11-21-2)8-6-15(19)14-5-4-13(16)12-17-14/h4-5,12,15,19H,3,6-11H2,1-2H3
InChIKeyABRRMLJLAZUTLN-UHFFFAOYSA-N
XLogP1.63
TPSA54.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(5-fluoro-2-pyridinyl)-3-[propyl(2,2,2-trifluoroethyl)amino]propan-1-ol
CID 83126589
3-[2,2-dimethylpropyl(methyl)amino]-1-(5-fluoro-2-pyridinyl)propan-1-ol
CID 83126379
1-(5-fluoro-2-pyridinyl)-3-[furan-3-ylmethyl(methyl)amino]propan-1-ol
CID 83126811
3-[butan-2-yl(butyl)amino]-1-(5-fluoro-2-pyridinyl)propan-1-ol
CID 83126666
1-(5-fluoro-2-pyridinyl)-3-(N,3,5-trimethylanilino)propan-1-ol
CID 83111517
3-[butan-2-yl(2-methoxyethyl)amino]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-ol
CID 115941567
4,4,4-trifluoro-1-(5-fluoro-2-pyridinyl)butan-1-ol
CID 79722278
1-(5-fluoro-2-pyridinyl)-3-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]propan-1-ol
CID 83111329
3-(N-ethyl-2-fluoroanilino)-1-(5-fluoro-2-pyridinyl)propan-1-ol
CID 83111121
1-(5-fluoro-2-pyridinyl)-4-methylpent-4-en-1-ol
CID 114473963
N,N'-diethyl-1-(5-fluoro-2-pyridinyl)-N'-(2-methoxyethyl)-2-methylpropane-1,3-diamine
CID 115941310
3-[cyclohexyl(ethyl)amino]-1-(5-fluoro-2-pyridinyl)propan-1-ol
CID 83126803

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-pyridinyl)-3-[2-methoxyethyl(3-methoxypropyl)amino]propan-1-ol?
The IUPAC name of 1-(5-fluoro-2-pyridinyl)-3-[2-methoxyethyl(3-methoxypropyl)amino]propan-1-ol (CID 83111321) is 1-(5-fluoro-2-pyridinyl)-3-[2-methoxyethyl(3-methoxypropyl)amino]propan-1-ol.
What is the SMILES notation for 1-(5-fluoro-2-pyridinyl)-3-[2-methoxyethyl(3-methoxypropyl)amino]propan-1-ol?
The canonical SMILES for 1-(5-fluoro-2-pyridinyl)-3-[2-methoxyethyl(3-methoxypropyl)amino]propan-1-ol is COCCCN(CCOC)CCC(O)c1ccc(F)cn1.
What is the InChIKey of 1-(5-fluoro-2-pyridinyl)-3-[2-methoxyethyl(3-methoxypropyl)amino]propan-1-ol?
The InChIKey is ABRRMLJLAZUTLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25FN2O3/c1-20-10-3-7-18(9-11-21-2)8-6-15(19)14-5-4-13(16)12-17-14/h4-5,12,15,19H,3,6-11H2,1-2H3.
What are the key properties of 1-(5-fluoro-2-pyridinyl)-3-[2-methoxyethyl(3-methoxypropyl)amino]propan-1-ol?
1-(5-fluoro-2-pyridinyl)-3-[2-methoxyethyl(3-methoxypropyl)amino]propan-1-ol has a molecular weight of 300.37 g/mol, XLogP of 1.63, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-pyridinyl)-3-[2-methoxyethyl(3-methoxypropyl)amino]propan-1-ol is sourced from PubChem (CID 83111321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).