1-(5-fluoro-2-pyridinyl)-2-methyl-3-[methyl(2-pyrrolidin-1-ylethyl)amino]propan-1-ol

C16H26FN3O — CID 115941597

IUPAC1-(5-fluoro-2-pyridinyl)-2-methyl-3-[methyl(2-pyrrolidin-1-ylethyl)amino]propan-1-ol
SMILESCC(CN(C)CCN1CCCC1)C(O)c1ccc(F)cn1
InChIInChI=1S/C16H26FN3O/c1-13(16(21)15-6-5-14(17)11-18-15)12-19(2)9-10-20-7-3-4-8-20/h5-6,11,13,16,21H,3-4,7-10,12H2,1-2H3
InChIKeyDUYKLFIPNSIPLN-UHFFFAOYSA-N
MW295.40 g/mol
LogP1.92
Rot. Bonds7

About 1-(5-fluoro-2-pyridinyl)-2-methyl-3-[methyl(2-pyrrolidin-1-ylethyl)amino]propan-1-ol

1-(5-fluoro-2-pyridinyl)-2-methyl-3-[methyl(2-pyrrolidin-1-ylethyl)amino]propan-1-ol (PubChem CID 115941597) has the molecular formula C16H26FN3O and a molecular weight of 295.40 g/mol. Its IUPAC name is 1-(5-fluoro-2-pyridinyl)-2-methyl-3-[methyl(2-pyrrolidin-1-ylethyl)amino]propan-1-ol.

Molecular Properties

Compound Name1-(5-fluoro-2-pyridinyl)-2-methyl-3-[methyl(2-pyrrolidin-1-ylethyl)amino]propan-1-ol
PubChem CID115941597
Molecular FormulaC16H26FN3O
Molecular Weight295.40 g/mol
Exact Mass295.21
IUPAC Name1-(5-fluoro-2-pyridinyl)-2-methyl-3-[methyl(2-pyrrolidin-1-ylethyl)amino]propan-1-ol
SMILESCC(CN(C)CCN1CCCC1)C(O)c1ccc(F)cn1
InChIInChI=1S/C16H26FN3O/c1-13(16(21)15-6-5-14(17)11-18-15)12-19(2)9-10-20-7-3-4-8-20/h5-6,11,13,16,21H,3-4,7-10,12H2,1-2H3
InChIKeyDUYKLFIPNSIPLN-UHFFFAOYSA-N
XLogP1.92
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(5-fluoro-2-pyridinyl)-2-methyl-3-[methyl(2-pyrrolidin-1-ylethyl)amino]propan-1-ol with MolForge

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Launch Full Analysis

Related Compounds

1-(5-fluoro-2-pyridinyl)-N',2-dimethyl-N'-(2-pyrrolidin-1-ylethyl)propane-1,3-diamine
CID 115941386
3-[cyclobutylmethyl(methyl)amino]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-ol
CID 112586409
1-(5-fluoro-2-pyridinyl)-2-methyl-3-[methyl(2-methylbutan-2-yl)amino]propan-1-ol
CID 112586417
3-[3-(dimethylamino)propyl-ethylamino]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-ol
CID 102997242
3-(4,4-dimethylazepan-1-yl)-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-ol
CID 115941620
3-[cyclopropylmethyl(propyl)amino]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-ol
CID 115941544
3-[1-(dimethylamino)propan-2-yl-ethylamino]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-ol
CID 103191427
1-(5-fluoro-2-pyridinyl)-2-methyl-3-(2-methyl-1,4-oxazepan-4-yl)propan-1-ol
CID 115941592
3-[butan-2-yl(2-methoxyethyl)amino]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-ol
CID 115941567
1-(5-fluoro-2-pyridinyl)-3-[3-(methoxymethyl)piperidin-1-yl]-2-methylpropan-1-ol
CID 106589121
3-[(1,1-dioxothiolan-3-yl)-methylamino]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-ol
CID 115941523
1-(5-fluoro-2-pyridinyl)-N-methyl-3-piperidin-1-ylpropan-1-amine
CID 83126629

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-pyridinyl)-2-methyl-3-[methyl(2-pyrrolidin-1-ylethyl)amino]propan-1-ol?
The IUPAC name of 1-(5-fluoro-2-pyridinyl)-2-methyl-3-[methyl(2-pyrrolidin-1-ylethyl)amino]propan-1-ol (CID 115941597) is 1-(5-fluoro-2-pyridinyl)-2-methyl-3-[methyl(2-pyrrolidin-1-ylethyl)amino]propan-1-ol.
What is the SMILES notation for 1-(5-fluoro-2-pyridinyl)-2-methyl-3-[methyl(2-pyrrolidin-1-ylethyl)amino]propan-1-ol?
The canonical SMILES for 1-(5-fluoro-2-pyridinyl)-2-methyl-3-[methyl(2-pyrrolidin-1-ylethyl)amino]propan-1-ol is CC(CN(C)CCN1CCCC1)C(O)c1ccc(F)cn1.
What is the InChIKey of 1-(5-fluoro-2-pyridinyl)-2-methyl-3-[methyl(2-pyrrolidin-1-ylethyl)amino]propan-1-ol?
The InChIKey is DUYKLFIPNSIPLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FN3O/c1-13(16(21)15-6-5-14(17)11-18-15)12-19(2)9-10-20-7-3-4-8-20/h5-6,11,13,16,21H,3-4,7-10,12H2,1-2H3.
What are the key properties of 1-(5-fluoro-2-pyridinyl)-2-methyl-3-[methyl(2-pyrrolidin-1-ylethyl)amino]propan-1-ol?
1-(5-fluoro-2-pyridinyl)-2-methyl-3-[methyl(2-pyrrolidin-1-ylethyl)amino]propan-1-ol has a molecular weight of 295.40 g/mol, XLogP of 1.92, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-pyridinyl)-2-methyl-3-[methyl(2-pyrrolidin-1-ylethyl)amino]propan-1-ol is sourced from PubChem (CID 115941597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).