2-[4-[2-(2-methylpropoxy)ethoxy]phenyl]ethanimidamide

C14H22N2O2 — CID 106453253

IUPAC2-[4-[2-(2-methylpropoxy)ethoxy]phenyl]ethanimidamide
SMILES[H]/N=C(\N)Cc1ccc(OCCOCC(C)C)cc1
InChIInChI=1S/C14H22N2O2/c1-11(2)10-17-7-8-18-13-5-3-12(4-6-13)9-14(15)16/h3-6,11H,7-10H2,1-2H3,(H3,15,16)
InChIKeyLKNKDXLEBIQQNH-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.22
Rot. Bonds8

About 2-[4-[2-(2-methylpropoxy)ethoxy]phenyl]ethanimidamide

2-[4-[2-(2-methylpropoxy)ethoxy]phenyl]ethanimidamide (PubChem CID 106453253) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-[4-[2-(2-methylpropoxy)ethoxy]phenyl]ethanimidamide.

Molecular Properties

Compound Name2-[4-[2-(2-methylpropoxy)ethoxy]phenyl]ethanimidamide
PubChem CID106453253
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name2-[4-[2-(2-methylpropoxy)ethoxy]phenyl]ethanimidamide
SMILES[H]/N=C(\N)Cc1ccc(OCCOCC(C)C)cc1
InChIInChI=1S/C14H22N2O2/c1-11(2)10-17-7-8-18-13-5-3-12(4-6-13)9-14(15)16/h3-6,11H,7-10H2,1-2H3,(H3,15,16)
InChIKeyLKNKDXLEBIQQNH-UHFFFAOYSA-N
XLogP2.22
TPSA68.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.22
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

N'-hydroxy-4-[2-(2-methylpropoxy)ethoxy]benzenecarboximidamide
CID 61300990
1-[2-(2-methylpropoxy)ethoxy]-4-(2-methylpropyl)benzene
CID 134169966
2-[4-(2-methylpropyl)phenyl]ethanimidamide
CID 58177919
1-[2-(2-methylpropoxy)ethoxy]-4-propylbenzene
CID 134183971
2-[4-(2-amino-2-iminoethyl)phenyl]ethanimidamide
CID 3685928
2-[4-[(3-fluoro-4-methoxyphenyl)methoxy]phenyl]ethanimidamide
CID 43332381
3-methyl-2-[2-(2-methylpropoxy)ethoxy]benzenecarboximidamide
CID 107110765
2-[4-(thiophen-3-ylmethoxy)phenyl]ethanimidamide
CID 43646216
2-[4-(cyclobutylmethoxy)phenyl]ethanimidamide
CID 65458060
2-(2-phenoxyethoxy)ethanimidamide
CID 24689502
3-[4-[4-[4-(3-amino-3-iminopropyl)phenoxy]butoxy]phenyl]propanimidamide
CID 67069769
2-(4-bromophenyl)ethanimidamide;hydrochloride
CID 21499748

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(2-methylpropoxy)ethoxy]phenyl]ethanimidamide?
The IUPAC name of 2-[4-[2-(2-methylpropoxy)ethoxy]phenyl]ethanimidamide (CID 106453253) is 2-[4-[2-(2-methylpropoxy)ethoxy]phenyl]ethanimidamide.
What is the SMILES notation for 2-[4-[2-(2-methylpropoxy)ethoxy]phenyl]ethanimidamide?
The canonical SMILES for 2-[4-[2-(2-methylpropoxy)ethoxy]phenyl]ethanimidamide is [H]/N=C(\N)Cc1ccc(OCCOCC(C)C)cc1.
What is the InChIKey of 2-[4-[2-(2-methylpropoxy)ethoxy]phenyl]ethanimidamide?
The InChIKey is LKNKDXLEBIQQNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-11(2)10-17-7-8-18-13-5-3-12(4-6-13)9-14(15)16/h3-6,11H,7-10H2,1-2H3,(H3,15,16).
What are the key properties of 2-[4-[2-(2-methylpropoxy)ethoxy]phenyl]ethanimidamide?
2-[4-[2-(2-methylpropoxy)ethoxy]phenyl]ethanimidamide has a molecular weight of 250.34 g/mol, XLogP of 2.22, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(2-methylpropoxy)ethoxy]phenyl]ethanimidamide is sourced from PubChem (CID 106453253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).