2-aminoethoxy(ethoxy)methanol

C5H13NO3 — CID 155706478

IUPAC2-aminoethoxy(ethoxy)methanol
SMILESCCOC(O)OCCN
InChIInChI=1S/C5H13NO3/c1-2-8-5(7)9-4-3-6/h5,7H,2-4,6H2,1H3
InChIKeyPGJKGYZHSXOYEX-UHFFFAOYSA-N
MW135.16 g/mol
LogP-0.73
Rot. Bonds5

About 2-aminoethoxy(ethoxy)methanol

2-aminoethoxy(ethoxy)methanol (PubChem CID 155706478) has the molecular formula C5H13NO3 and a molecular weight of 135.16 g/mol. Its IUPAC name is 2-aminoethoxy(ethoxy)methanol.

Molecular Properties

Compound Name2-aminoethoxy(ethoxy)methanol
PubChem CID155706478
Molecular FormulaC5H13NO3
Molecular Weight135.16 g/mol
Exact Mass135.09
IUPAC Name2-aminoethoxy(ethoxy)methanol
SMILESCCOC(O)OCCN
InChIInChI=1S/C5H13NO3/c1-2-8-5(7)9-4-3-6/h5,7H,2-4,6H2,1H3
InChIKeyPGJKGYZHSXOYEX-UHFFFAOYSA-N
XLogP-0.73
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.16
LogP ≤ 5-0.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-aminoethoxy)ethanol;1-ethoxyethanol
CID 157343406
1-(2-aminoethoxy)propan-1-ol
CID 87147915
2-aminoethoxy(trihydroxy)phosphanium
CID 55290252
1-(2-aminoethoxy)ethanol;hydroxylamine
CID 87972798
2-[2-(2-aminoethoxy)-2-ethoxyethoxy]ethanamine
CID 175367490
2-amino-1-(2-aminoethoxy)ethanol
CID 22372816
ethanamine;1-ethoxyethanol
CID 20501270
1-(2-aminoethoxy)-2,2-dimethylpropan-1-ol
CID 123688713
2-propan-2-yloxyethanamine
CID 533866
4-(2-aminoethoxy)pentan-2-ol
CID 173098597
8-amino-1-ethoxyoctan-1-ol
CID 89136202
2-(1-methoxypropoxy)ethanamine
CID 147503736

Frequently Asked Questions

What is the IUPAC name of 2-aminoethoxy(ethoxy)methanol?
The IUPAC name of 2-aminoethoxy(ethoxy)methanol (CID 155706478) is 2-aminoethoxy(ethoxy)methanol.
What is the SMILES notation for 2-aminoethoxy(ethoxy)methanol?
The canonical SMILES for 2-aminoethoxy(ethoxy)methanol is CCOC(O)OCCN.
What is the InChIKey of 2-aminoethoxy(ethoxy)methanol?
The InChIKey is PGJKGYZHSXOYEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO3/c1-2-8-5(7)9-4-3-6/h5,7H,2-4,6H2,1H3.
What are the key properties of 2-aminoethoxy(ethoxy)methanol?
2-aminoethoxy(ethoxy)methanol has a molecular weight of 135.16 g/mol, XLogP of -0.73, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethoxy(ethoxy)methanol is sourced from PubChem (CID 155706478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).