3-[cyclobutylmethyl(methyl)amino]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-ol

C15H23FN2O — CID 112586409

IUPAC3-[cyclobutylmethyl(methyl)amino]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-ol
SMILESCC(CN(C)CC1CCC1)C(O)c1ccc(F)cn1
InChIInChI=1S/C15H23FN2O/c1-11(9-18(2)10-12-4-3-5-12)15(19)14-7-6-13(16)8-17-14/h6-8,11-12,15,19H,3-5,9-10H2,1-2H3
InChIKeyHDDRCHGMUNUPLP-UHFFFAOYSA-N
MW266.36 g/mol
LogP2.62
Rot. Bonds6

About 3-[cyclobutylmethyl(methyl)amino]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-ol

3-[cyclobutylmethyl(methyl)amino]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-ol (PubChem CID 112586409) has the molecular formula C15H23FN2O and a molecular weight of 266.36 g/mol. Its IUPAC name is 3-[cyclobutylmethyl(methyl)amino]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-[cyclobutylmethyl(methyl)amino]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-ol
PubChem CID112586409
Molecular FormulaC15H23FN2O
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC Name3-[cyclobutylmethyl(methyl)amino]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-ol
SMILESCC(CN(C)CC1CCC1)C(O)c1ccc(F)cn1
InChIInChI=1S/C15H23FN2O/c1-11(9-18(2)10-12-4-3-5-12)15(19)14-7-6-13(16)8-17-14/h6-8,11-12,15,19H,3-5,9-10H2,1-2H3
InChIKeyHDDRCHGMUNUPLP-UHFFFAOYSA-N
XLogP2.62
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[cyclobutylmethyl(methyl)amino]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[cyclopropylmethyl(propyl)amino]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-ol
CID 115941544
3-[cyclobutylmethyl(methyl)amino]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-one
CID 112586223
1-(5-fluoro-2-pyridinyl)-2-methyl-3-[methyl(2-pyrrolidin-1-ylethyl)amino]propan-1-ol
CID 115941597
3-[cyclobutylmethyl(methyl)amino]-1-(2-fluorophenyl)-2-methylpropan-1-ol
CID 112679956
3-[(1,1-dioxothiolan-3-yl)-methylamino]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-ol
CID 115941523
1-(5-fluoro-2-pyridinyl)-2-methyl-3-[methyl(2-methylbutan-2-yl)amino]propan-1-ol
CID 112586417
3-[1-(dimethylamino)propan-2-yl-ethylamino]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-ol
CID 103191427
3-[cyclohexylmethyl(methyl)amino]-1-(2-fluorophenyl)-2-methylpropan-1-ol
CID 115997137
3-[3-(dimethylamino)propyl-ethylamino]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-ol
CID 102997242
1-(5-fluoro-2-pyridinyl)-3-[methyl(oxan-4-ylmethyl)amino]propan-1-ol
CID 83126451
N'-cyclopentyl-1-(5-fluoro-2-pyridinyl)-N,N',2-trimethylpropane-1,3-diamine
CID 115941183
1-(5-fluoro-2-pyridinyl)-3-[3-(methoxymethyl)piperidin-1-yl]-2-methylpropan-1-ol
CID 106589121

Frequently Asked Questions

What is the IUPAC name of 3-[cyclobutylmethyl(methyl)amino]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-ol?
The IUPAC name of 3-[cyclobutylmethyl(methyl)amino]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-ol (CID 112586409) is 3-[cyclobutylmethyl(methyl)amino]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-ol.
What is the SMILES notation for 3-[cyclobutylmethyl(methyl)amino]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-ol?
The canonical SMILES for 3-[cyclobutylmethyl(methyl)amino]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-ol is CC(CN(C)CC1CCC1)C(O)c1ccc(F)cn1.
What is the InChIKey of 3-[cyclobutylmethyl(methyl)amino]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-ol?
The InChIKey is HDDRCHGMUNUPLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O/c1-11(9-18(2)10-12-4-3-5-12)15(19)14-7-6-13(16)8-17-14/h6-8,11-12,15,19H,3-5,9-10H2,1-2H3.
What are the key properties of 3-[cyclobutylmethyl(methyl)amino]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-ol?
3-[cyclobutylmethyl(methyl)amino]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-ol has a molecular weight of 266.36 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclobutylmethyl(methyl)amino]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-ol is sourced from PubChem (CID 112586409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).