1-ethoxyethylazanium chloride

C4H12ClNO — CID 11228796

IUPAC1-ethoxyethylazanium chloride
SMILESCCOC(C)[NH3+].[Cl-]
InChIInChI=1S/C4H11NO.ClH/c1-3-6-4(2)5;/h4H,3,5H2,1-2H3;1H
InChIKeyLPAMUCSFGDLONU-UHFFFAOYSA-N
MW125.60 g/mol
LogP-3.39
Rot. Bonds2

About 1-ethoxyethylazanium chloride

1-ethoxyethylazanium chloride (PubChem CID 11228796) has the molecular formula C4H12ClNO and a molecular weight of 125.60 g/mol. Its IUPAC name is 1-ethoxyethylazanium chloride.

Molecular Properties

Compound Name1-ethoxyethylazanium chloride
PubChem CID11228796
Molecular FormulaC4H12ClNO
Molecular Weight125.60 g/mol
Exact Mass125.06
IUPAC Name1-ethoxyethylazanium chloride
SMILESCCOC(C)[NH3+].[Cl-]
InChIInChI=1S/C4H11NO.ClH/c1-3-6-4(2)5;/h4H,3,5H2,1-2H3;1H
InChIKeyLPAMUCSFGDLONU-UHFFFAOYSA-N
XLogP-3.39
TPSA36.87 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.60
LogP ≤ 5-3.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-Methoxypropan-1-amine
CID 14619209
Ethanamine, 1-ethoxy-
CID 11228797
Gammabeta-aminoethyl ether
CID 17857504
Methoxyethanamine
CID 19353429
Butoxypropanamine
CID 22184064
1-ethoxy-N-fluoropropan-1-amine
CID 21657419
1-ethoxy-N-fluoroethanamine
CID 88597500
1-(2,2,2-Trifluoroethoxy)ethanamine;hydrochloride
CID 153326086
5-Ethoxy-1-azaindoline
CID 129868393
(1S)-1-methoxypropan-1-amine
CID 14619210
(1R)-1-methoxypropan-1-amine
CID 14619211
1-(1-Aminoethoxy)ethanamine;trihydrochloride
CID 17857503

Frequently Asked Questions

What is the IUPAC name of 1-ethoxyethylazanium chloride?
The IUPAC name of 1-ethoxyethylazanium chloride (CID 11228796) is 1-ethoxyethylazanium chloride.
What is the SMILES notation for 1-ethoxyethylazanium chloride?
The canonical SMILES for 1-ethoxyethylazanium chloride is CCOC(C)[NH3+].[Cl-].
What is the InChIKey of 1-ethoxyethylazanium chloride?
The InChIKey is LPAMUCSFGDLONU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NO.ClH/c1-3-6-4(2)5;/h4H,3,5H2,1-2H3;1H.
What are the key properties of 1-ethoxyethylazanium chloride?
1-ethoxyethylazanium chloride has a molecular weight of 125.60 g/mol, XLogP of -3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxyethylazanium chloride is sourced from PubChem (CID 11228796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).