1-[[3-(ethylamino)-3-(5-fluoro-2-pyridinyl)propyl]-methylamino]propan-2-ol

C14H24FN3O — CID 83126298

IUPAC1-[[3-(ethylamino)-3-(5-fluoro-2-pyridinyl)propyl]-methylamino]propan-2-ol
SMILESCCNC(CCN(C)CC(C)O)c1ccc(F)cn1
InChIInChI=1S/C14H24FN3O/c1-4-16-14(7-8-18(3)10-11(2)19)13-6-5-12(15)9-17-13/h5-6,9,11,14,16,19H,4,7-8,10H2,1-3H3
InChIKeyXZEZDKOXXZKSRD-UHFFFAOYSA-N
MW269.36 g/mol
LogP1.57
Rot. Bonds8

About 1-[[3-(ethylamino)-3-(5-fluoro-2-pyridinyl)propyl]-methylamino]propan-2-ol

1-[[3-(ethylamino)-3-(5-fluoro-2-pyridinyl)propyl]-methylamino]propan-2-ol (PubChem CID 83126298) has the molecular formula C14H24FN3O and a molecular weight of 269.36 g/mol. Its IUPAC name is 1-[[3-(ethylamino)-3-(5-fluoro-2-pyridinyl)propyl]-methylamino]propan-2-ol.

Molecular Properties

Compound Name1-[[3-(ethylamino)-3-(5-fluoro-2-pyridinyl)propyl]-methylamino]propan-2-ol
PubChem CID83126298
Molecular FormulaC14H24FN3O
Molecular Weight269.36 g/mol
Exact Mass269.19
IUPAC Name1-[[3-(ethylamino)-3-(5-fluoro-2-pyridinyl)propyl]-methylamino]propan-2-ol
SMILESCCNC(CCN(C)CC(C)O)c1ccc(F)cn1
InChIInChI=1S/C14H24FN3O/c1-4-16-14(7-8-18(3)10-11(2)19)13-6-5-12(15)9-17-13/h5-6,9,11,14,16,19H,4,7-8,10H2,1-3H3
InChIKeyXZEZDKOXXZKSRD-UHFFFAOYSA-N
XLogP1.57
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.36
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[[3-(ethylamino)-3-(5-fluoro-2-pyridinyl)propyl]-methylamino]propan-2-ol with MolForge

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Related Compounds

N-ethyl-1-(5-fluoro-2-pyridinyl)-N'-methyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
CID 83126566
N-ethyl-1-(5-fluoro-2-pyridinyl)-N'-(2-methoxyethyl)-N'-methylpropane-1,3-diamine
CID 83126155
3-(ethylamino)-3-(5-fluoro-2-pyridinyl)propan-1-ol
CID 83129133
N'-ethyl-1-(5-fluoro-2-pyridinyl)-N'-methyl-N-propylpropane-1,3-diamine
CID 83125854
N'-[2-(dimethylamino)ethyl]-1-(5-fluoro-2-pyridinyl)-N'-methyl-N-propylpropane-1,3-diamine
CID 83111114
2-[butyl-[3-(ethylamino)-3-(5-fluoro-2-pyridinyl)propyl]amino]ethanol
CID 83111687
2-[[3-(5-fluoro-2-pyridinyl)-3-(methylamino)propyl]-methylamino]ethanol
CID 83126078
3-[2,2-dimethylpropyl(methyl)amino]-1-(5-fluoro-2-pyridinyl)propan-1-ol
CID 83126379
N-ethyl-1-(5-fluoro-2-pyridinyl)-N',N',2-trimethylpropane-1,3-diamine
CID 112586268
5-[[3-(5-fluoro-2-pyridinyl)-3-(methylamino)propyl]-methylamino]pentan-1-ol
CID 107204696
2-[[3-(ethylamino)-3-(5-fluoro-2-pyridinyl)-2-methylpropyl]-methylamino]propan-1-ol
CID 104554713
N'-ethyl-1-(5-fluoro-2-pyridinyl)-N'-propan-2-yl-N-propylpropane-1,3-diamine
CID 83126490

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(ethylamino)-3-(5-fluoro-2-pyridinyl)propyl]-methylamino]propan-2-ol?
The IUPAC name of 1-[[3-(ethylamino)-3-(5-fluoro-2-pyridinyl)propyl]-methylamino]propan-2-ol (CID 83126298) is 1-[[3-(ethylamino)-3-(5-fluoro-2-pyridinyl)propyl]-methylamino]propan-2-ol.
What is the SMILES notation for 1-[[3-(ethylamino)-3-(5-fluoro-2-pyridinyl)propyl]-methylamino]propan-2-ol?
The canonical SMILES for 1-[[3-(ethylamino)-3-(5-fluoro-2-pyridinyl)propyl]-methylamino]propan-2-ol is CCNC(CCN(C)CC(C)O)c1ccc(F)cn1.
What is the InChIKey of 1-[[3-(ethylamino)-3-(5-fluoro-2-pyridinyl)propyl]-methylamino]propan-2-ol?
The InChIKey is XZEZDKOXXZKSRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24FN3O/c1-4-16-14(7-8-18(3)10-11(2)19)13-6-5-12(15)9-17-13/h5-6,9,11,14,16,19H,4,7-8,10H2,1-3H3.
What are the key properties of 1-[[3-(ethylamino)-3-(5-fluoro-2-pyridinyl)propyl]-methylamino]propan-2-ol?
1-[[3-(ethylamino)-3-(5-fluoro-2-pyridinyl)propyl]-methylamino]propan-2-ol has a molecular weight of 269.36 g/mol, XLogP of 1.57, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(ethylamino)-3-(5-fluoro-2-pyridinyl)propyl]-methylamino]propan-2-ol is sourced from PubChem (CID 83126298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).