2-(2-propoxyethoxy)benzenecarboximidamide

C12H18N2O2 — CID 63684381

IUPAC2-(2-propoxyethoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccccc1OCCOCCC
InChIInChI=1S/C12H18N2O2/c1-2-7-15-8-9-16-11-6-4-3-5-10(11)12(13)14/h3-6H,2,7-9H2,1H3,(H3,13,14)
InChIKeyQFBQCQBESCFMBY-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.78
Rot. Bonds7

About 2-(2-propoxyethoxy)benzenecarboximidamide

2-(2-propoxyethoxy)benzenecarboximidamide (PubChem CID 63684381) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-(2-propoxyethoxy)benzenecarboximidamide.

Molecular Properties

Compound Name2-(2-propoxyethoxy)benzenecarboximidamide
PubChem CID63684381
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name2-(2-propoxyethoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccccc1OCCOCCC
InChIInChI=1S/C12H18N2O2/c1-2-7-15-8-9-16-11-6-4-3-5-10(11)12(13)14/h3-6H,2,7-9H2,1H3,(H3,13,14)
InChIKeyQFBQCQBESCFMBY-UHFFFAOYSA-N
XLogP1.78
TPSA68.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.78
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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Related Compounds

5-chloro-2-(2-propoxyethoxy)benzenecarboximidamide
CID 63684928
2-(4-methylpentoxy)benzenecarboximidamide
CID 29002875
2-(3-methoxy-3-methylbutoxy)benzenecarboximidamide
CID 103033946
2-(2-propoxyphenoxy)ethanimidamide
CID 24701744
2-(2-propoxyethoxy)quinoline-4-carboximidamide
CID 63883975
2-(2-ethylphenoxy)benzenecarboximidamide
CID 43364301
5-fluoro-2-[2-(2-methoxyethoxy)ethoxy]benzenecarboximidamide
CID 104562366
2-(2-propoxyethoxy)-6-(trifluoromethyl)pyridine-3-carboximidamide
CID 79877333
4-chloro-2-(2-propoxyphenoxy)benzenecarboximidamide
CID 63094383
2-(2-butoxyethoxy)benzenecarbothioamide
CID 29001981
5-chloro-2-(2-ethoxyethoxy)benzenecarboximidamide
CID 62494463
2-(2-methoxyphenoxy)benzenecarboximidamide
CID 28601438

Frequently Asked Questions

What is the IUPAC name of 2-(2-propoxyethoxy)benzenecarboximidamide?
The IUPAC name of 2-(2-propoxyethoxy)benzenecarboximidamide (CID 63684381) is 2-(2-propoxyethoxy)benzenecarboximidamide.
What is the SMILES notation for 2-(2-propoxyethoxy)benzenecarboximidamide?
The canonical SMILES for 2-(2-propoxyethoxy)benzenecarboximidamide is [H]/N=C(\N)c1ccccc1OCCOCCC.
What is the InChIKey of 2-(2-propoxyethoxy)benzenecarboximidamide?
The InChIKey is QFBQCQBESCFMBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-2-7-15-8-9-16-11-6-4-3-5-10(11)12(13)14/h3-6H,2,7-9H2,1H3,(H3,13,14).
What are the key properties of 2-(2-propoxyethoxy)benzenecarboximidamide?
2-(2-propoxyethoxy)benzenecarboximidamide has a molecular weight of 222.29 g/mol, XLogP of 1.78, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-propoxyethoxy)benzenecarboximidamide is sourced from PubChem (CID 63684381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).