3-(2-methoxyethoxy)benzenecarboximidamide;hydrochloride

C10H15ClN2O2 — CID 42656933

IUPAC3-(2-methoxyethoxy)benzenecarboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1cccc(OCCOC)c1
InChIInChI=1S/C10H14N2O2.ClH/c1-13-5-6-14-9-4-2-3-8(7-9)10(11)12;/h2-4,7H,5-6H2,1H3,(H3,11,12);1H
InChIKeyJEPDUEYUHDDFFO-UHFFFAOYSA-N
MW230.70 g/mol
LogP1.42
Rot. Bonds5

About 3-(2-methoxyethoxy)benzenecarboximidamide;hydrochloride

3-(2-methoxyethoxy)benzenecarboximidamide;hydrochloride (PubChem CID 42656933) has the molecular formula C10H15ClN2O2 and a molecular weight of 230.70 g/mol. Its IUPAC name is 3-(2-methoxyethoxy)benzenecarboximidamide;hydrochloride.

Molecular Properties

Compound Name3-(2-methoxyethoxy)benzenecarboximidamide;hydrochloride
PubChem CID42656933
Molecular FormulaC10H15ClN2O2
Molecular Weight230.70 g/mol
Exact Mass230.08
IUPAC Name3-(2-methoxyethoxy)benzenecarboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1cccc(OCCOC)c1
InChIInChI=1S/C10H14N2O2.ClH/c1-13-5-6-14-9-4-2-3-8(7-9)10(11)12;/h2-4,7H,5-6H2,1H3,(H3,11,12);1H
InChIKeyJEPDUEYUHDDFFO-UHFFFAOYSA-N
XLogP1.42
TPSA68.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.70
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethoxy)benzenecarboximidamide;hydrochloride?
The IUPAC name of 3-(2-methoxyethoxy)benzenecarboximidamide;hydrochloride (CID 42656933) is 3-(2-methoxyethoxy)benzenecarboximidamide;hydrochloride.
What is the SMILES notation for 3-(2-methoxyethoxy)benzenecarboximidamide;hydrochloride?
The canonical SMILES for 3-(2-methoxyethoxy)benzenecarboximidamide;hydrochloride is Cl.[H]/N=C(\N)c1cccc(OCCOC)c1.
What is the InChIKey of 3-(2-methoxyethoxy)benzenecarboximidamide;hydrochloride?
The InChIKey is JEPDUEYUHDDFFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2.ClH/c1-13-5-6-14-9-4-2-3-8(7-9)10(11)12;/h2-4,7H,5-6H2,1H3,(H3,11,12);1H.
What are the key properties of 3-(2-methoxyethoxy)benzenecarboximidamide;hydrochloride?
3-(2-methoxyethoxy)benzenecarboximidamide;hydrochloride has a molecular weight of 230.70 g/mol, XLogP of 1.42, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethoxy)benzenecarboximidamide;hydrochloride is sourced from PubChem (CID 42656933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).