3-[1-(dimethylamino)propan-2-yl-ethylamino]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-ol

C16H28FN3O — CID 103191427

IUPAC3-[1-(dimethylamino)propan-2-yl-ethylamino]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-ol
SMILESCCN(CC(C)C(O)c1ccc(F)cn1)C(C)CN(C)C
InChIInChI=1S/C16H28FN3O/c1-6-20(13(3)11-19(4)5)10-12(2)16(21)15-8-7-14(17)9-18-15/h7-9,12-13,16,21H,6,10-11H2,1-5H3
InChIKeyNGXFOFRHQYZJOS-UHFFFAOYSA-N
MW297.42 g/mol
LogP2.16
Rot. Bonds8

About 3-[1-(dimethylamino)propan-2-yl-ethylamino]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-ol

3-[1-(dimethylamino)propan-2-yl-ethylamino]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-ol (PubChem CID 103191427) has the molecular formula C16H28FN3O and a molecular weight of 297.42 g/mol. Its IUPAC name is 3-[1-(dimethylamino)propan-2-yl-ethylamino]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-[1-(dimethylamino)propan-2-yl-ethylamino]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-ol
PubChem CID103191427
Molecular FormulaC16H28FN3O
Molecular Weight297.42 g/mol
Exact Mass297.22
IUPAC Name3-[1-(dimethylamino)propan-2-yl-ethylamino]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-ol
SMILESCCN(CC(C)C(O)c1ccc(F)cn1)C(C)CN(C)C
InChIInChI=1S/C16H28FN3O/c1-6-20(13(3)11-19(4)5)10-12(2)16(21)15-8-7-14(17)9-18-15/h7-9,12-13,16,21H,6,10-11H2,1-5H3
InChIKeyNGXFOFRHQYZJOS-UHFFFAOYSA-N
XLogP2.16
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[ethyl(1-methoxypropan-2-yl)amino]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-ol
CID 115941535
3-[3-(dimethylamino)propyl-ethylamino]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-ol
CID 102997242
1-(5-fluoro-2-pyridinyl)-2-methyl-3-[methyl(2-methylbutan-2-yl)amino]propan-1-ol
CID 112586417
3-[butan-2-yl(2-methoxyethyl)amino]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-ol
CID 115941567
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-pyrrolidin-1-ylethyl)amino]propan-1-ol
CID 115941597
3-[cyclopropylmethyl(propyl)amino]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-ol
CID 115941544
1-(5-fluoro-2-pyridinyl)-N,N',N',2-tetramethylpropane-1,3-diamine
CID 112586269
N-ethyl-1-(5-fluoro-2-pyridinyl)-N',N',2-trimethylpropane-1,3-diamine
CID 112586268
3-[(1,1-dioxothiolan-3-yl)-methylamino]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-ol
CID 115941523
3-(5-fluoro-2-pyridinyl)-4-methylpentan-2-ol
CID 63200803
N'-ethyl-1-(5-fluoro-2-pyridinyl)-N',2-dimethylpropane-1,3-diamine
CID 112586276

Frequently Asked Questions

What is the IUPAC name of 3-[1-(dimethylamino)propan-2-yl-ethylamino]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-ol?
The IUPAC name of 3-[1-(dimethylamino)propan-2-yl-ethylamino]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-ol (CID 103191427) is 3-[1-(dimethylamino)propan-2-yl-ethylamino]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-ol.
What is the SMILES notation for 3-[1-(dimethylamino)propan-2-yl-ethylamino]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-ol?
The canonical SMILES for 3-[1-(dimethylamino)propan-2-yl-ethylamino]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-ol is CCN(CC(C)C(O)c1ccc(F)cn1)C(C)CN(C)C.
What is the InChIKey of 3-[1-(dimethylamino)propan-2-yl-ethylamino]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-ol?
The InChIKey is NGXFOFRHQYZJOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28FN3O/c1-6-20(13(3)11-19(4)5)10-12(2)16(21)15-8-7-14(17)9-18-15/h7-9,12-13,16,21H,6,10-11H2,1-5H3.
What are the key properties of 3-[1-(dimethylamino)propan-2-yl-ethylamino]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-ol?
3-[1-(dimethylamino)propan-2-yl-ethylamino]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-ol has a molecular weight of 297.42 g/mol, XLogP of 2.16, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(dimethylamino)propan-2-yl-ethylamino]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-ol is sourced from PubChem (CID 103191427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).