2-propoxyethanamine;hydrochloride

C5H14ClNO — CID 18326446

IUPAC2-propoxyethanamine;hydrochloride
SMILESCCCOCCN.Cl
InChIInChI=1S/C5H13NO.ClH/c1-2-4-7-5-3-6;/h2-6H2,1H3;1H
InChIKeyVKNCQPYVYLMJBK-UHFFFAOYSA-N
MW139.63 g/mol
LogP0.79
Rot. Bonds4

About 2-propoxyethanamine;hydrochloride

2-propoxyethanamine;hydrochloride (PubChem CID 18326446) has the molecular formula C5H14ClNO and a molecular weight of 139.63 g/mol. Its IUPAC name is 2-propoxyethanamine;hydrochloride.

Molecular Properties

Compound Name2-propoxyethanamine;hydrochloride
PubChem CID18326446
Molecular FormulaC5H14ClNO
Molecular Weight139.63 g/mol
Exact Mass139.08
IUPAC Name2-propoxyethanamine;hydrochloride
SMILESCCCOCCN.Cl
InChIInChI=1S/C5H13NO.ClH/c1-2-4-7-5-3-6;/h2-6H2,1H3;1H
InChIKeyVKNCQPYVYLMJBK-UHFFFAOYSA-N
XLogP0.79
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.63
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-propoxyethanamine;hydrochloride?
The IUPAC name of 2-propoxyethanamine;hydrochloride (CID 18326446) is 2-propoxyethanamine;hydrochloride.
What is the SMILES notation for 2-propoxyethanamine;hydrochloride?
The canonical SMILES for 2-propoxyethanamine;hydrochloride is CCCOCCN.Cl.
What is the InChIKey of 2-propoxyethanamine;hydrochloride?
The InChIKey is VKNCQPYVYLMJBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO.ClH/c1-2-4-7-5-3-6;/h2-6H2,1H3;1H.
What are the key properties of 2-propoxyethanamine;hydrochloride?
2-propoxyethanamine;hydrochloride has a molecular weight of 139.63 g/mol, XLogP of 0.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propoxyethanamine;hydrochloride is sourced from PubChem (CID 18326446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).