2-amino-1-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]ethanol

C11H20N2O2 — CID 16767754

IUPAC2-amino-1-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]ethanol
SMILESCOCCn1c(C)cc(C(O)CN)c1C
InChIInChI=1S/C11H20N2O2/c1-8-6-10(11(14)7-12)9(2)13(8)4-5-15-3/h6,11,14H,4-5,7,12H2,1-3H3
InChIKeyJEYLIJPVBOVHLQ-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.74
Rot. Bonds5

About 2-amino-1-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]ethanol

2-amino-1-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]ethanol (PubChem CID 16767754) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 2-amino-1-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]ethanol.

Molecular Properties

Compound Name2-amino-1-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]ethanol
PubChem CID16767754
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name2-amino-1-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]ethanol
SMILESCOCCn1c(C)cc(C(O)CN)c1C
InChIInChI=1S/C11H20N2O2/c1-8-6-10(11(14)7-12)9(2)13(8)4-5-15-3/h6,11,14H,4-5,7,12H2,1-3H3
InChIKeyJEYLIJPVBOVHLQ-UHFFFAOYSA-N
XLogP0.74
TPSA60.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]ethanol?
The IUPAC name of 2-amino-1-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]ethanol (CID 16767754) is 2-amino-1-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]ethanol.
What is the SMILES notation for 2-amino-1-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]ethanol?
The canonical SMILES for 2-amino-1-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]ethanol is COCCn1c(C)cc(C(O)CN)c1C.
What is the InChIKey of 2-amino-1-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]ethanol?
The InChIKey is JEYLIJPVBOVHLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-8-6-10(11(14)7-12)9(2)13(8)4-5-15-3/h6,11,14H,4-5,7,12H2,1-3H3.
What are the key properties of 2-amino-1-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]ethanol?
2-amino-1-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]ethanol has a molecular weight of 212.29 g/mol, XLogP of 0.74, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]ethanol is sourced from PubChem (CID 16767754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).