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

C5H14ClNO2 — CID 86645518

IUPAC1-(2-aminoethoxy)propan-2-ol;hydrochloride
SMILESCC(O)COCCN.Cl
InChIInChI=1S/C5H13NO2.ClH/c1-5(7)4-8-3-2-6;/h5,7H,2-4,6H2,1H3;1H
InChIKeyXMQIXYARSUBTOR-UHFFFAOYSA-N
MW155.62 g/mol
LogP-0.24
Rot. Bonds4

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

1-(2-aminoethoxy)propan-2-ol;hydrochloride (PubChem CID 86645518) has the molecular formula C5H14ClNO2 and a molecular weight of 155.62 g/mol. Its IUPAC name is 1-(2-aminoethoxy)propan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-(2-aminoethoxy)propan-2-ol;hydrochloride
PubChem CID86645518
Molecular FormulaC5H14ClNO2
Molecular Weight155.62 g/mol
Exact Mass155.07
IUPAC Name1-(2-aminoethoxy)propan-2-ol;hydrochloride
SMILESCC(O)COCCN.Cl
InChIInChI=1S/C5H13NO2.ClH/c1-5(7)4-8-3-2-6;/h5,7H,2-4,6H2,1H3;1H
InChIKeyXMQIXYARSUBTOR-UHFFFAOYSA-N
XLogP-0.24
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.62
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2-(2-aminoethoxy)ethoxy]-3-methylbutan-2-ol
CID 144781174
(2S)-1-[(2S)-2-hydroxypropoxy]propan-2-ol
CID 6950271
1-(2-hydroxyethoxy)propan-2-ol
CID 19360868
2-(2-aminoethoxy)-1-(1-hydroxyethylamino)ethanol
CID 57197052
3-(2-hydroxypropoxy)propane-1,1-diol
CID 88599165
bis[2-(2-hydroxypropoxy)ethyl] carbonate
CID 141093104
(1R)-1-amino-2-[2-(2-aminoethoxy)ethoxy]ethanol
CID 118402947
1-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propan-2-ol
CID 86587580
(2S)-1-butoxypropan-2-ol
CID 54289557
2-(2-hydroxyethoxy)ethanol;1-[2-(2-hydroxyethoxy)ethoxy]propan-2-ol
CID 161004910
1-(2-aminoethoxy)ethanol;hydroxylamine
CID 87972798
1-(3,3-dimethylbutoxy)propan-2-ol
CID 66225611

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethoxy)propan-2-ol;hydrochloride?
The IUPAC name of 1-(2-aminoethoxy)propan-2-ol;hydrochloride (CID 86645518) is 1-(2-aminoethoxy)propan-2-ol;hydrochloride.
What is the SMILES notation for 1-(2-aminoethoxy)propan-2-ol;hydrochloride?
The canonical SMILES for 1-(2-aminoethoxy)propan-2-ol;hydrochloride is CC(O)COCCN.Cl.
What is the InChIKey of 1-(2-aminoethoxy)propan-2-ol;hydrochloride?
The InChIKey is XMQIXYARSUBTOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO2.ClH/c1-5(7)4-8-3-2-6;/h5,7H,2-4,6H2,1H3;1H.
What are the key properties of 1-(2-aminoethoxy)propan-2-ol;hydrochloride?
1-(2-aminoethoxy)propan-2-ol;hydrochloride has a molecular weight of 155.62 g/mol, XLogP of -0.24, 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-2-ol;hydrochloride is sourced from PubChem (CID 86645518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).