1-amino-2-ethoxypropan-2-ol

C5H13NO2 — CID 174792064

IUPAC1-amino-2-ethoxypropan-2-ol
SMILESCCOC(C)(O)CN
InChIInChI=1S/C5H13NO2/c1-3-8-5(2,7)4-6/h7H,3-4,6H2,1-2H3
InChIKeyVOQBQCGBUCFUFD-UHFFFAOYSA-N
MW119.16 g/mol
LogP-0.31
Rot. Bonds3

About 1-amino-2-ethoxypropan-2-ol

1-amino-2-ethoxypropan-2-ol (PubChem CID 174792064) has the molecular formula C5H13NO2 and a molecular weight of 119.16 g/mol. Its IUPAC name is 1-amino-2-ethoxypropan-2-ol.

Molecular Properties

Compound Name1-amino-2-ethoxypropan-2-ol
PubChem CID174792064
Molecular FormulaC5H13NO2
Molecular Weight119.16 g/mol
Exact Mass119.09
IUPAC Name1-amino-2-ethoxypropan-2-ol
SMILESCCOC(C)(O)CN
InChIInChI=1S/C5H13NO2/c1-3-8-5(2,7)4-6/h7H,3-4,6H2,1-2H3
InChIKeyVOQBQCGBUCFUFD-UHFFFAOYSA-N
XLogP-0.31
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.16
LogP ≤ 5-0.31
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

1,3-diamino-2-ethoxypropan-2-ol
CID 174780599
(2S)-4-amino-2-ethoxypentan-2-ol
CID 163736531
2-ethoxy-1-methoxypropan-2-ol
CID 148549797
2-amino-1-(dimethylamino)-1-ethoxyethanol
CID 172791475
2-ethoxytetradecan-2-ol
CID 154401470
2-ethoxy-3,3-dimethylbutan-2-ol
CID 141378500
2-ethoxy-5-iodopent-4-yn-2-ol
CID 174650973
2-ethoxy-2-ethylbutan-1-amine
CID 65051068
2-ethoxy-2-methylpropane
CID 12512
2-ethoxy-2-(113C)methyl(1,3-13C2)propane
CID 71308925
2-(1,2-13C2)ethoxy-2-(113C)methyl(1,2,3-13C3)propane
CID 71309473
titanium;1,1,2-triethoxy-2-methylpropan-1-ol
CID 87321187

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-ethoxypropan-2-ol?
The IUPAC name of 1-amino-2-ethoxypropan-2-ol (CID 174792064) is 1-amino-2-ethoxypropan-2-ol.
What is the SMILES notation for 1-amino-2-ethoxypropan-2-ol?
The canonical SMILES for 1-amino-2-ethoxypropan-2-ol is CCOC(C)(O)CN.
What is the InChIKey of 1-amino-2-ethoxypropan-2-ol?
The InChIKey is VOQBQCGBUCFUFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO2/c1-3-8-5(2,7)4-6/h7H,3-4,6H2,1-2H3.
What are the key properties of 1-amino-2-ethoxypropan-2-ol?
1-amino-2-ethoxypropan-2-ol has a molecular weight of 119.16 g/mol, XLogP of -0.31, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-ethoxypropan-2-ol is sourced from PubChem (CID 174792064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).