1-(5-fluoro-2-pyridinyl)-2-methyl-3-[methyl(2-methylbutan-2-yl)amino]propan-1-ol

C15H25FN2O — CID 112586417

IUPAC1-(5-fluoro-2-pyridinyl)-2-methyl-3-[methyl(2-methylbutan-2-yl)amino]propan-1-ol
SMILESCCC(C)(C)N(C)CC(C)C(O)c1ccc(F)cn1
InChIInChI=1S/C15H25FN2O/c1-6-15(3,4)18(5)10-11(2)14(19)13-8-7-12(16)9-17-13/h7-9,11,14,19H,6,10H2,1-5H3
InChIKeyDNUZWJVZNDZVMI-UHFFFAOYSA-N
MW268.38 g/mol
LogP3.01
Rot. Bonds6

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

1-(5-fluoro-2-pyridinyl)-2-methyl-3-[methyl(2-methylbutan-2-yl)amino]propan-1-ol (PubChem CID 112586417) has the molecular formula C15H25FN2O and a molecular weight of 268.38 g/mol. Its IUPAC name is 1-(5-fluoro-2-pyridinyl)-2-methyl-3-[methyl(2-methylbutan-2-yl)amino]propan-1-ol.

Molecular Properties

Compound Name1-(5-fluoro-2-pyridinyl)-2-methyl-3-[methyl(2-methylbutan-2-yl)amino]propan-1-ol
PubChem CID112586417
Molecular FormulaC15H25FN2O
Molecular Weight268.38 g/mol
Exact Mass268.20
IUPAC Name1-(5-fluoro-2-pyridinyl)-2-methyl-3-[methyl(2-methylbutan-2-yl)amino]propan-1-ol
SMILESCCC(C)(C)N(C)CC(C)C(O)c1ccc(F)cn1
InChIInChI=1S/C15H25FN2O/c1-6-15(3,4)18(5)10-11(2)14(19)13-8-7-12(16)9-17-13/h7-9,11,14,19H,6,10H2,1-5H3
InChIKeyDNUZWJVZNDZVMI-UHFFFAOYSA-N
XLogP3.01
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

3-[1-(dimethylamino)propan-2-yl-ethylamino]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-ol
CID 103191427
3-[3-(dimethylamino)propyl-ethylamino]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-ol
CID 102997242
3-[ethyl(1-methoxypropan-2-yl)amino]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-ol
CID 115941535
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
3-[(1,1-dioxothiolan-3-yl)-methylamino]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-ol
CID 115941523
1-[[3-(ethylamino)-3-(5-fluoro-2-pyridinyl)propyl]-methylamino]propan-2-ol
CID 83126298
N'-ethyl-1-(5-fluoro-2-pyridinyl)-N',2-dimethylpropane-1,3-diamine
CID 112586276
(2S)-2-[tert-butyl(dimethyl)silyl]oxy-1-(5-fluoro-2-pyridinyl)propan-1-ol
CID 68880010
3-(5-fluoro-2-pyridinyl)-4-methylpentan-2-ol
CID 63200803

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-pyridinyl)-2-methyl-3-[methyl(2-methylbutan-2-yl)amino]propan-1-ol?
The IUPAC name of 1-(5-fluoro-2-pyridinyl)-2-methyl-3-[methyl(2-methylbutan-2-yl)amino]propan-1-ol (CID 112586417) is 1-(5-fluoro-2-pyridinyl)-2-methyl-3-[methyl(2-methylbutan-2-yl)amino]propan-1-ol.
What is the SMILES notation for 1-(5-fluoro-2-pyridinyl)-2-methyl-3-[methyl(2-methylbutan-2-yl)amino]propan-1-ol?
The canonical SMILES for 1-(5-fluoro-2-pyridinyl)-2-methyl-3-[methyl(2-methylbutan-2-yl)amino]propan-1-ol is CCC(C)(C)N(C)CC(C)C(O)c1ccc(F)cn1.
What is the InChIKey of 1-(5-fluoro-2-pyridinyl)-2-methyl-3-[methyl(2-methylbutan-2-yl)amino]propan-1-ol?
The InChIKey is DNUZWJVZNDZVMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25FN2O/c1-6-15(3,4)18(5)10-11(2)14(19)13-8-7-12(16)9-17-13/h7-9,11,14,19H,6,10H2,1-5H3.
What are the key properties of 1-(5-fluoro-2-pyridinyl)-2-methyl-3-[methyl(2-methylbutan-2-yl)amino]propan-1-ol?
1-(5-fluoro-2-pyridinyl)-2-methyl-3-[methyl(2-methylbutan-2-yl)amino]propan-1-ol has a molecular weight of 268.38 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-pyridinyl)-2-methyl-3-[methyl(2-methylbutan-2-yl)amino]propan-1-ol is sourced from PubChem (CID 112586417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).