2-(3-methoxypropoxy)ethanamine;hydrochloride

C6H16ClNO2 — CID 86645457

IUPAC2-(3-methoxypropoxy)ethanamine;hydrochloride
SMILESCOCCCOCCN.Cl
InChIInChI=1S/C6H15NO2.ClH/c1-8-4-2-5-9-6-3-7;/h2-7H2,1H3;1H
InChIKeyAYINSCLWHGFUEX-UHFFFAOYSA-N
MW169.65 g/mol
LogP0.42
Rot. Bonds6

About 2-(3-methoxypropoxy)ethanamine;hydrochloride

2-(3-methoxypropoxy)ethanamine;hydrochloride (PubChem CID 86645457) has the molecular formula C6H16ClNO2 and a molecular weight of 169.65 g/mol. Its IUPAC name is 2-(3-methoxypropoxy)ethanamine;hydrochloride.

Molecular Properties

Compound Name2-(3-methoxypropoxy)ethanamine;hydrochloride
PubChem CID86645457
Molecular FormulaC6H16ClNO2
Molecular Weight169.65 g/mol
Exact Mass169.09
IUPAC Name2-(3-methoxypropoxy)ethanamine;hydrochloride
SMILESCOCCCOCCN.Cl
InChIInChI=1S/C6H15NO2.ClH/c1-8-4-2-5-9-6-3-7;/h2-7H2,1H3;1H
InChIKeyAYINSCLWHGFUEX-UHFFFAOYSA-N
XLogP0.42
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.65
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(3-methoxypropoxy)ethoxy]ethanamine
CID 103175799
2-[2-[3-[2-(2-methoxyethoxy)ethoxy]propoxy]ethoxy]ethanamine
CID 146320426
2-[2-[3-(2-methoxyethoxy)propoxy]ethoxy]ethanamine
CID 103482612
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine;hydrochloride
CID 146502612
1-methoxy-3-[3-(3-methoxypropoxy)propoxy]propane
CID 6432627
2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
CID 18764651
methanamine;2-(2-methoxyethoxy)ethanamine
CID 145171254
6-[3-(2-methoxyethoxy)propoxy]hexan-1-amine
CID 103406276
2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethanamine;pentane
CID 170966597
1-methoxy-6-(6-methoxyhexoxy)hexane
CID 154493017
1-butoxybutane;1-methoxy-3-(3-methoxypropoxy)propane
CID 174886787
4-(2-aminoethoxy)butan-1-amine;ethane
CID 171066196

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxypropoxy)ethanamine;hydrochloride?
The IUPAC name of 2-(3-methoxypropoxy)ethanamine;hydrochloride (CID 86645457) is 2-(3-methoxypropoxy)ethanamine;hydrochloride.
What is the SMILES notation for 2-(3-methoxypropoxy)ethanamine;hydrochloride?
The canonical SMILES for 2-(3-methoxypropoxy)ethanamine;hydrochloride is COCCCOCCN.Cl.
What is the InChIKey of 2-(3-methoxypropoxy)ethanamine;hydrochloride?
The InChIKey is AYINSCLWHGFUEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO2.ClH/c1-8-4-2-5-9-6-3-7;/h2-7H2,1H3;1H.
What are the key properties of 2-(3-methoxypropoxy)ethanamine;hydrochloride?
2-(3-methoxypropoxy)ethanamine;hydrochloride has a molecular weight of 169.65 g/mol, XLogP of 0.42, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxypropoxy)ethanamine;hydrochloride is sourced from PubChem (CID 86645457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).