1-(2-aminoethoxy)propan-1-ol

C5H13NO2 — CID 87147915

IUPAC1-(2-aminoethoxy)propan-1-ol
SMILESCCC(O)OCCN
InChIInChI=1S/C5H13NO2/c1-2-5(7)8-4-3-6/h5,7H,2-4,6H2,1H3
InChIKeyHLYVCXRZJHROFR-UHFFFAOYSA-N
MW119.16 g/mol
LogP-0.31
Rot. Bonds4

About 1-(2-aminoethoxy)propan-1-ol

1-(2-aminoethoxy)propan-1-ol (PubChem CID 87147915) has the molecular formula C5H13NO2 and a molecular weight of 119.16 g/mol. Its IUPAC name is 1-(2-aminoethoxy)propan-1-ol.

Molecular Properties

Compound Name1-(2-aminoethoxy)propan-1-ol
PubChem CID87147915
Molecular FormulaC5H13NO2
Molecular Weight119.16 g/mol
Exact Mass119.09
IUPAC Name1-(2-aminoethoxy)propan-1-ol
SMILESCCC(O)OCCN
InChIInChI=1S/C5H13NO2/c1-2-5(7)8-4-3-6/h5,7H,2-4,6H2,1H3
InChIKeyHLYVCXRZJHROFR-UHFFFAOYSA-N
XLogP-0.31
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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-(2-fluoroethoxy)propan-1-ol
CID 142878325
2-amino-1-(2-aminoethoxy)ethanol
CID 22372816
1-propoxypropan-1-ol;hydrate
CID 174406445
dimethyltin;1-propoxypropan-1-ol
CID 174652896
2-aminoethoxy(ethoxy)methanol
CID 155706478
2-aminoethoxy(trihydroxy)phosphanium
CID 55290252
1-(2-aminoethoxy)ethanol;hydroxylamine
CID 87972798
1-undecoxypropan-1-ol
CID 139971923
1-heptoxypropan-1-ol
CID 19598529
1-(2-aminoethoxy)ethanol;1-ethoxyethanol
CID 157343406
1-butoxyethanol;1-butoxypropan-1-ol
CID 161420365
6-(1-hydroxypropoxy)hexane-1,1-diol
CID 59547424

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethoxy)propan-1-ol?
The IUPAC name of 1-(2-aminoethoxy)propan-1-ol (CID 87147915) is 1-(2-aminoethoxy)propan-1-ol.
What is the SMILES notation for 1-(2-aminoethoxy)propan-1-ol?
The canonical SMILES for 1-(2-aminoethoxy)propan-1-ol is CCC(O)OCCN.
What is the InChIKey of 1-(2-aminoethoxy)propan-1-ol?
The InChIKey is HLYVCXRZJHROFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO2/c1-2-5(7)8-4-3-6/h5,7H,2-4,6H2,1H3.
What are the key properties of 1-(2-aminoethoxy)propan-1-ol?
1-(2-aminoethoxy)propan-1-ol has a molecular weight of 119.16 g/mol, XLogP of -0.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethoxy)propan-1-ol is sourced from PubChem (CID 87147915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).