1-[[2-[(tert-butylamino)methyl]-6-methyl-3-pyridinyl]oxy]-3-ethoxypropan-2-ol

C16H28N2O3 — CID 79158303

IUPAC1-[[2-[(tert-butylamino)methyl]-6-methyl-3-pyridinyl]oxy]-3-ethoxypropan-2-ol
SMILESCCOCC(O)COc1ccc(C)nc1CNC(C)(C)C
InChIInChI=1S/C16H28N2O3/c1-6-20-10-13(19)11-21-15-8-7-12(2)18-14(15)9-17-16(3,4)5/h7-8,13,17,19H,6,9-11H2,1-5H3
InChIKeyANFSPSUMDVMWHC-UHFFFAOYSA-N
MW296.41 g/mol
LogP2.05
Rot. Bonds8

About 1-[[2-[(tert-butylamino)methyl]-6-methyl-3-pyridinyl]oxy]-3-ethoxypropan-2-ol

1-[[2-[(tert-butylamino)methyl]-6-methyl-3-pyridinyl]oxy]-3-ethoxypropan-2-ol (PubChem CID 79158303) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 1-[[2-[(tert-butylamino)methyl]-6-methyl-3-pyridinyl]oxy]-3-ethoxypropan-2-ol.

Molecular Properties

Compound Name1-[[2-[(tert-butylamino)methyl]-6-methyl-3-pyridinyl]oxy]-3-ethoxypropan-2-ol
PubChem CID79158303
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name1-[[2-[(tert-butylamino)methyl]-6-methyl-3-pyridinyl]oxy]-3-ethoxypropan-2-ol
SMILESCCOCC(O)COc1ccc(C)nc1CNC(C)(C)C
InChIInChI=1S/C16H28N2O3/c1-6-20-10-13(19)11-21-15-8-7-12(2)18-14(15)9-17-16(3,4)5/h7-8,13,17,19H,6,9-11H2,1-5H3
InChIKeyANFSPSUMDVMWHC-UHFFFAOYSA-N
XLogP2.05
TPSA63.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[3-(2,2-difluoroethoxy)-6-methyl-2-pyridinyl]methyl]-2-methylpropan-2-amine
CID 79156405
3-[[2-[(tert-butylamino)methyl]-6-methyl-3-pyridinyl]oxymethyl]pentan-3-ol
CID 114492150
3-(3-ethoxy-2-hydroxypropoxy)-6-methylpyridine-2-carbaldehyde
CID 79156638
1-[4-[(tert-butylamino)methyl]-2-fluorophenoxy]-3-ethoxypropan-2-ol
CID 107688365
1-[2-[(tert-butylamino)methyl]-3-chlorophenoxy]-3-ethoxypropan-2-ol
CID 114319870
1-[[2-(aminomethyl)-6-methyl-3-pyridinyl]oxy]-3-(2-methoxyethoxy)propan-2-ol
CID 106988783
1-[[6-methyl-2-(propylaminomethyl)-3-pyridinyl]oxy]-3-propan-2-yloxypropan-2-ol
CID 79157906
3-[[2-(aminomethyl)-6-methyl-3-pyridinyl]oxy]propane-1,2-diol
CID 82850120
2-methyl-N-[[6-methyl-3-(4,4,4-trifluorobutoxy)-2-pyridinyl]methyl]propan-2-amine
CID 115513270
1-[[2-(hydroxymethyl)-6-methyl-3-pyridinyl]oxy]-3-propan-2-yloxypropan-2-ol
CID 79158885
N-[[3-(2-ethoxyethoxy)-6-methyl-2-pyridinyl]methyl]-2-methylpropan-1-amine
CID 79156805
(2S)-1-(2-bromo-4-methylphenoxy)-3-ethoxypropan-2-ol
CID 129402931

Frequently Asked Questions

What is the IUPAC name of 1-[[2-[(tert-butylamino)methyl]-6-methyl-3-pyridinyl]oxy]-3-ethoxypropan-2-ol?
The IUPAC name of 1-[[2-[(tert-butylamino)methyl]-6-methyl-3-pyridinyl]oxy]-3-ethoxypropan-2-ol (CID 79158303) is 1-[[2-[(tert-butylamino)methyl]-6-methyl-3-pyridinyl]oxy]-3-ethoxypropan-2-ol.
What is the SMILES notation for 1-[[2-[(tert-butylamino)methyl]-6-methyl-3-pyridinyl]oxy]-3-ethoxypropan-2-ol?
The canonical SMILES for 1-[[2-[(tert-butylamino)methyl]-6-methyl-3-pyridinyl]oxy]-3-ethoxypropan-2-ol is CCOCC(O)COc1ccc(C)nc1CNC(C)(C)C.
What is the InChIKey of 1-[[2-[(tert-butylamino)methyl]-6-methyl-3-pyridinyl]oxy]-3-ethoxypropan-2-ol?
The InChIKey is ANFSPSUMDVMWHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-6-20-10-13(19)11-21-15-8-7-12(2)18-14(15)9-17-16(3,4)5/h7-8,13,17,19H,6,9-11H2,1-5H3.
What are the key properties of 1-[[2-[(tert-butylamino)methyl]-6-methyl-3-pyridinyl]oxy]-3-ethoxypropan-2-ol?
1-[[2-[(tert-butylamino)methyl]-6-methyl-3-pyridinyl]oxy]-3-ethoxypropan-2-ol has a molecular weight of 296.41 g/mol, XLogP of 2.05, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-[(tert-butylamino)methyl]-6-methyl-3-pyridinyl]oxy]-3-ethoxypropan-2-ol is sourced from PubChem (CID 79158303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).