2-amino-1-[(2-methylpropan-2-yl)oxy]ethanol

C6H15NO2 — CID 89297728

IUPAC2-amino-1-[(2-methylpropan-2-yl)oxy]ethanol
SMILESCC(C)(C)OC(O)CN
InChIInChI=1S/C6H15NO2/c1-6(2,3)9-5(8)4-7/h5,8H,4,7H2,1-3H3
InChIKeyNTGKXWIZJGRHHG-UHFFFAOYSA-N
MW133.19 g/mol
LogP0.08
Rot. Bonds2

About 2-amino-1-[(2-methylpropan-2-yl)oxy]ethanol

2-amino-1-[(2-methylpropan-2-yl)oxy]ethanol (PubChem CID 89297728) has the molecular formula C6H15NO2 and a molecular weight of 133.19 g/mol. Its IUPAC name is 2-amino-1-[(2-methylpropan-2-yl)oxy]ethanol.

Molecular Properties

Compound Name2-amino-1-[(2-methylpropan-2-yl)oxy]ethanol
PubChem CID89297728
Molecular FormulaC6H15NO2
Molecular Weight133.19 g/mol
Exact Mass133.11
IUPAC Name2-amino-1-[(2-methylpropan-2-yl)oxy]ethanol
SMILESCC(C)(C)OC(O)CN
InChIInChI=1S/C6H15NO2/c1-6(2,3)9-5(8)4-7/h5,8H,4,7H2,1-3H3
InChIKeyNTGKXWIZJGRHHG-UHFFFAOYSA-N
XLogP0.08
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.19
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-methyl-1-[(2-methylpropan-2-yl)oxy]butan-1-ol
CID 87926743
bis[(2-methylpropan-2-yl)oxy]methanol
CID 121276629
4-hydroperoxy-1-[(2-methylpropan-2-yl)oxy]butan-1-ol
CID 88961632
(3S)-3-amino-1-[(2-methylpropan-2-yl)oxy]heptan-1-ol
CID 134572706
2-amino-2-[(2-methylpropan-2-yl)oxy]ethanol
CID 87381606
3-fluoro-2-[(2-methylpropan-2-yl)oxy]propan-1-ol
CID 140910562
2-methyl-2-propan-2-yloxypropane;propan-2-ol
CID 88729747
[(2-aminocyclopropylidene)amino]-[(2-methylpropan-2-yl)oxy]methanol
CID 123380799
1-amino-3-methoxy-3-methylbutan-2-ol
CID 55285086
1-(1-amino-2-methylpropan-2-yl)oxyethanol
CID 87187146
1-amino-3-methyl-3-(methylamino)butan-2-ol
CID 139754066
2-fluoro-3-[(2-methylpropan-2-yl)oxy]propan-1-amine
CID 83853882

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[(2-methylpropan-2-yl)oxy]ethanol?
The IUPAC name of 2-amino-1-[(2-methylpropan-2-yl)oxy]ethanol (CID 89297728) is 2-amino-1-[(2-methylpropan-2-yl)oxy]ethanol.
What is the SMILES notation for 2-amino-1-[(2-methylpropan-2-yl)oxy]ethanol?
The canonical SMILES for 2-amino-1-[(2-methylpropan-2-yl)oxy]ethanol is CC(C)(C)OC(O)CN.
What is the InChIKey of 2-amino-1-[(2-methylpropan-2-yl)oxy]ethanol?
The InChIKey is NTGKXWIZJGRHHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO2/c1-6(2,3)9-5(8)4-7/h5,8H,4,7H2,1-3H3.
What are the key properties of 2-amino-1-[(2-methylpropan-2-yl)oxy]ethanol?
2-amino-1-[(2-methylpropan-2-yl)oxy]ethanol has a molecular weight of 133.19 g/mol, XLogP of 0.08, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[(2-methylpropan-2-yl)oxy]ethanol is sourced from PubChem (CID 89297728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).