4-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]benzenecarboximidamide

C15H23N3O2 — CID 61299819

IUPAC4-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OCCN2CC(C)OC(C)C2)cc1
InChIInChI=1S/C15H23N3O2/c1-11-9-18(10-12(2)20-11)7-8-19-14-5-3-13(4-6-14)15(16)17/h3-6,11-12H,7-10H2,1-2H3,(H3,16,17)
InChIKeyKKDFUYWGVDUKGG-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.46
Rot. Bonds5

About 4-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]benzenecarboximidamide

4-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]benzenecarboximidamide (PubChem CID 61299819) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 4-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]benzenecarboximidamide.

Molecular Properties

Compound Name4-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]benzenecarboximidamide
PubChem CID61299819
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name4-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OCCN2CC(C)OC(C)C2)cc1
InChIInChI=1S/C15H23N3O2/c1-11-9-18(10-12(2)20-11)7-8-19-14-5-3-13(4-6-14)15(16)17/h3-6,11-12H,7-10H2,1-2H3,(H3,16,17)
InChIKeyKKDFUYWGVDUKGG-UHFFFAOYSA-N
XLogP1.46
TPSA71.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[(2,6-dimethylmorpholin-4-yl)methyl]benzenecarboximidamide
CID 24700962
(2R,6R)-4-[2-(4-fluorophenoxy)ethyl]-2,6-dimethylmorpholine
CID 888238
4-[2-(3-methoxypiperidin-1-yl)ethoxy]benzenecarboximidamide
CID 102958539
4-[2-(4-methyl-1,4-diazepan-1-yl)ethoxy]benzenecarboximidamide
CID 61301165
4-[3-[(3aR,6aS)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]propoxy]benzenecarboximidamide
CID 151361349
4-[2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]ethoxy]benzenecarboximidamide
CID 102781528
1-[4-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propoxy]phenyl]ethanone
CID 7380535
2-[4-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethoxy]phenyl]acetic acid
CID 175940913
2-[4-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]phenyl]ethanamine;dihydrochloride
CID 71941842
4-(2,6-dimethylmorpholin-4-yl)benzenecarboximidamide
CID 43188175
4-butoxybenzenecarboximidamide
CID 3015454
methyl 4-[2-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethoxy]ethoxy]benzoate
CID 7412586

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]benzenecarboximidamide?
The IUPAC name of 4-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]benzenecarboximidamide (CID 61299819) is 4-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]benzenecarboximidamide.
What is the SMILES notation for 4-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]benzenecarboximidamide?
The canonical SMILES for 4-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]benzenecarboximidamide is [H]/N=C(\N)c1ccc(OCCN2CC(C)OC(C)C2)cc1.
What is the InChIKey of 4-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]benzenecarboximidamide?
The InChIKey is KKDFUYWGVDUKGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-11-9-18(10-12(2)20-11)7-8-19-14-5-3-13(4-6-14)15(16)17/h3-6,11-12H,7-10H2,1-2H3,(H3,16,17).
What are the key properties of 4-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]benzenecarboximidamide?
4-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]benzenecarboximidamide has a molecular weight of 277.37 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]benzenecarboximidamide is sourced from PubChem (CID 61299819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).