1-[ethyl(2-pyridin-2-ylethyl)amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol

C16H28N2O2 — CID 74229486

IUPAC1-[ethyl(2-pyridin-2-ylethyl)amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
SMILESCCN(CCc1ccccn1)CC(O)COC(C)(C)C
InChIInChI=1S/C16H28N2O2/c1-5-18(11-9-14-8-6-7-10-17-14)12-15(19)13-20-16(2,3)4/h6-8,10,15,19H,5,9,11-13H2,1-4H3
InChIKeyKLLDWNOJUBUGAU-UHFFFAOYSA-N
MW280.41 g/mol
LogP2.12
Rot. Bonds8

About 1-[ethyl(2-pyridin-2-ylethyl)amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol

1-[ethyl(2-pyridin-2-ylethyl)amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol (PubChem CID 74229486) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 1-[ethyl(2-pyridin-2-ylethyl)amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol.

Molecular Properties

Compound Name1-[ethyl(2-pyridin-2-ylethyl)amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
PubChem CID74229486
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name1-[ethyl(2-pyridin-2-ylethyl)amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
SMILESCCN(CCc1ccccn1)CC(O)COC(C)(C)C
InChIInChI=1S/C16H28N2O2/c1-5-18(11-9-14-8-6-7-10-17-14)12-15(19)13-20-16(2,3)4/h6-8,10,15,19H,5,9,11-13H2,1-4H3
InChIKeyKLLDWNOJUBUGAU-UHFFFAOYSA-N
XLogP2.12
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[ethyl(2-pyridin-2-ylethyl)amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol with MolForge

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Related Compounds

N-[dideuterio(pyridin-2-yl)methyl]-N-ethyl-2-pyridin-2-ylethanamine
CID 101128708
1-[methyl(2-pyridin-2-ylethyl)amino]pentan-2-ol
CID 62042147
N-methyl-N-[(2-methylpropan-2-yl)oxy]-2-pyridin-2-ylethanamine
CID 162487755
1-[bis(2-pyridin-2-ylethyl)amino]-3-(2-pyridin-2-ylethylamino)propan-2-ol
CID 101479636
1-(1-methoxypropan-2-yloxy)-3-[methyl(2-pyridin-2-ylethyl)amino]propan-2-ol
CID 106991705
1-propoxy-4-pyridin-2-ylbutan-2-ol
CID 105112007
3-methoxy-3-methyl-1-[methyl(2-pyridin-2-ylethyl)amino]butan-2-ol
CID 114228723
ethane;N-methyl-N-(2-pyridin-2-ylethyl)propan-2-amine
CID 142585406
1-[ethyl(pyridin-2-ylmethyl)amino]propan-2-ol
CID 78998409
3,3-dimethyl-4-[methyl(2-pyridin-2-ylethyl)amino]butan-2-ol
CID 66454768
ethyl 4-[ethyl(pyridin-2-ylmethyl)amino]-3-hydroxybutanoate
CID 82769148
3-[3-[bis(pyridin-2-ylmethyl)amino]-2-hydroxypropoxy]propane-1,2-diol
CID 132519367

Frequently Asked Questions

What is the IUPAC name of 1-[ethyl(2-pyridin-2-ylethyl)amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol?
The IUPAC name of 1-[ethyl(2-pyridin-2-ylethyl)amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol (CID 74229486) is 1-[ethyl(2-pyridin-2-ylethyl)amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol.
What is the SMILES notation for 1-[ethyl(2-pyridin-2-ylethyl)amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol?
The canonical SMILES for 1-[ethyl(2-pyridin-2-ylethyl)amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol is CCN(CCc1ccccn1)CC(O)COC(C)(C)C.
What is the InChIKey of 1-[ethyl(2-pyridin-2-ylethyl)amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol?
The InChIKey is KLLDWNOJUBUGAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-5-18(11-9-14-8-6-7-10-17-14)12-15(19)13-20-16(2,3)4/h6-8,10,15,19H,5,9,11-13H2,1-4H3.
What are the key properties of 1-[ethyl(2-pyridin-2-ylethyl)amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol?
1-[ethyl(2-pyridin-2-ylethyl)amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol has a molecular weight of 280.41 g/mol, XLogP of 2.12, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethyl(2-pyridin-2-ylethyl)amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol is sourced from PubChem (CID 74229486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).