2-amino-1-(oxan-4-yl)ethanol;hydrochloride

C7H16ClNO2 — CID 54594265

IUPAC2-amino-1-(oxan-4-yl)ethanol;hydrochloride
SMILESCl.NCC(O)C1CCOCC1
InChIInChI=1S/C7H15NO2.ClH/c8-5-7(9)6-1-3-10-4-2-6;/h6-7,9H,1-5,8H2;1H
InChIKeyRKJIIRZLONSRMA-UHFFFAOYSA-N
MW181.66 g/mol
LogP0.15
Rot. Bonds2

About 2-amino-1-(oxan-4-yl)ethanol;hydrochloride

2-amino-1-(oxan-4-yl)ethanol;hydrochloride (PubChem CID 54594265) has the molecular formula C7H16ClNO2 and a molecular weight of 181.66 g/mol. Its IUPAC name is 2-amino-1-(oxan-4-yl)ethanol;hydrochloride.

Molecular Properties

Compound Name2-amino-1-(oxan-4-yl)ethanol;hydrochloride
PubChem CID54594265
Molecular FormulaC7H16ClNO2
Molecular Weight181.66 g/mol
Exact Mass181.09
IUPAC Name2-amino-1-(oxan-4-yl)ethanol;hydrochloride
SMILESCl.NCC(O)C1CCOCC1
InChIInChI=1S/C7H15NO2.ClH/c8-5-7(9)6-1-3-10-4-2-6;/h6-7,9H,1-5,8H2;1H
InChIKeyRKJIIRZLONSRMA-UHFFFAOYSA-N
XLogP0.15
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.66
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(oxan-4-yl)ethanol;hydrochloride?
The IUPAC name of 2-amino-1-(oxan-4-yl)ethanol;hydrochloride (CID 54594265) is 2-amino-1-(oxan-4-yl)ethanol;hydrochloride.
What is the SMILES notation for 2-amino-1-(oxan-4-yl)ethanol;hydrochloride?
The canonical SMILES for 2-amino-1-(oxan-4-yl)ethanol;hydrochloride is Cl.NCC(O)C1CCOCC1.
What is the InChIKey of 2-amino-1-(oxan-4-yl)ethanol;hydrochloride?
The InChIKey is RKJIIRZLONSRMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2.ClH/c8-5-7(9)6-1-3-10-4-2-6;/h6-7,9H,1-5,8H2;1H.
What are the key properties of 2-amino-1-(oxan-4-yl)ethanol;hydrochloride?
2-amino-1-(oxan-4-yl)ethanol;hydrochloride has a molecular weight of 181.66 g/mol, XLogP of 0.15, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(oxan-4-yl)ethanol;hydrochloride is sourced from PubChem (CID 54594265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).