3-[4-(2-methoxyethyl)phenoxy]butanimidamide

C13H20N2O2 — CID 114997080

IUPAC3-[4-(2-methoxyethyl)phenoxy]butanimidamide
SMILES[H]/N=C(\N)CC(C)Oc1ccc(CCOC)cc1
InChIInChI=1S/C13H20N2O2/c1-10(9-13(14)15)17-12-5-3-11(4-6-12)7-8-16-2/h3-6,10H,7-9H2,1-2H3,(H3,14,15)
InChIKeyFISLNZZTWBVXJP-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.97
Rot. Bonds7

About 3-[4-(2-methoxyethyl)phenoxy]butanimidamide

3-[4-(2-methoxyethyl)phenoxy]butanimidamide (PubChem CID 114997080) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 3-[4-(2-methoxyethyl)phenoxy]butanimidamide.

Molecular Properties

Compound Name3-[4-(2-methoxyethyl)phenoxy]butanimidamide
PubChem CID114997080
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name3-[4-(2-methoxyethyl)phenoxy]butanimidamide
SMILES[H]/N=C(\N)CC(C)Oc1ccc(CCOC)cc1
InChIInChI=1S/C13H20N2O2/c1-10(9-13(14)15)17-12-5-3-11(4-6-12)7-8-16-2/h3-6,10H,7-9H2,1-2H3,(H3,14,15)
InChIKeyFISLNZZTWBVXJP-UHFFFAOYSA-N
XLogP1.97
TPSA68.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-hexyloxy-N-hydroxybenzamidine
CID 5363804
n'-Hydroxy-2-(4-methoxyphenyl)ethanimidamide
CID 5356867
4-(8-Phenoxyoctoxy)benzenecarboximidamide
CID 10382641
Butanimidamide, 4-((1,1'-biphenyl)-2-yloxy)-, monohydrochloride
CID 3079499
Benzamidine, p-butoxy-, monohydrochloride
CID 3015453
N-Hydroxy-2-(4-methoxy-phenyl)-acetamidine
CID 5800057
5-[(4-Butoxyphenyl)methyl]-4,5-dihydropyrimidine-2,6-diamine
CID 44344683
5-[(4-Hexoxyphenyl)methyl]-4,5-dihydropyrimidine-2,6-diamine
CID 44345003
5-[[4-(2-Methoxyethoxy)phenyl]methyl]-4,5-dihydropyrimidine-2,6-diamine
CID 44345016
4-(9-Amino-9-iminononoxy)benzenecarboximidamide;dihydrochloride
CID 155528471
4-(12-Amino-12-iminododecoxy)benzenecarboximidamide;dihydrochloride
CID 155548688
4-[8-(4-Carbamimidoylphenoxy)octoxy]benzenecarboximidamide
CID 10475016

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-methoxyethyl)phenoxy]butanimidamide?
The IUPAC name of 3-[4-(2-methoxyethyl)phenoxy]butanimidamide (CID 114997080) is 3-[4-(2-methoxyethyl)phenoxy]butanimidamide.
What is the SMILES notation for 3-[4-(2-methoxyethyl)phenoxy]butanimidamide?
The canonical SMILES for 3-[4-(2-methoxyethyl)phenoxy]butanimidamide is [H]/N=C(\N)CC(C)Oc1ccc(CCOC)cc1.
What is the InChIKey of 3-[4-(2-methoxyethyl)phenoxy]butanimidamide?
The InChIKey is FISLNZZTWBVXJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-10(9-13(14)15)17-12-5-3-11(4-6-12)7-8-16-2/h3-6,10H,7-9H2,1-2H3,(H3,14,15).
What are the key properties of 3-[4-(2-methoxyethyl)phenoxy]butanimidamide?
3-[4-(2-methoxyethyl)phenoxy]butanimidamide has a molecular weight of 236.31 g/mol, XLogP of 1.97, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-methoxyethyl)phenoxy]butanimidamide is sourced from PubChem (CID 114997080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).