5-[(3-ethylmorpholin-4-yl)methyl]-2-methoxybenzenecarboximidamide

C15H23N3O2 — CID 65338703

IUPAC5-[(3-ethylmorpholin-4-yl)methyl]-2-methoxybenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(CN2CCOCC2CC)ccc1OC
InChIInChI=1S/C15H23N3O2/c1-3-12-10-20-7-6-18(12)9-11-4-5-14(19-2)13(8-11)15(16)17/h4-5,8,12H,3,6-7,9-10H2,1-2H3,(H3,16,17)
InChIKeyHYQIKRVIQOTLPB-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.59
Rot. Bonds5

About 5-[(3-ethylmorpholin-4-yl)methyl]-2-methoxybenzenecarboximidamide

5-[(3-ethylmorpholin-4-yl)methyl]-2-methoxybenzenecarboximidamide (PubChem CID 65338703) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 5-[(3-ethylmorpholin-4-yl)methyl]-2-methoxybenzenecarboximidamide.

Molecular Properties

Compound Name5-[(3-ethylmorpholin-4-yl)methyl]-2-methoxybenzenecarboximidamide
PubChem CID65338703
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name5-[(3-ethylmorpholin-4-yl)methyl]-2-methoxybenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(CN2CCOCC2CC)ccc1OC
InChIInChI=1S/C15H23N3O2/c1-3-12-10-20-7-6-18(12)9-11-4-5-14(19-2)13(8-11)15(16)17/h4-5,8,12H,3,6-7,9-10H2,1-2H3,(H3,16,17)
InChIKeyHYQIKRVIQOTLPB-UHFFFAOYSA-N
XLogP1.59
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 ≤ 51.59
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

5-[(2-ethylpiperidin-1-yl)methyl]-2-methoxybenzenecarboximidamide
CID 65338983
4-[(3-ethylmorpholin-4-yl)methyl]-2-methoxybenzoic acid
CID 106793496
5-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-2-methoxybenzenecarboximidamide
CID 83227573
[4-[(3,4-dimethoxyphenyl)methyl]morpholin-3-yl]methanamine
CID 83096554
5-[(3-ethylmorpholin-4-yl)methyl]-2-methoxybenzonitrile
CID 65344113
5-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]-2-methoxybenzenecarboximidamide
CID 65340327
4-[(3-ethylmorpholin-4-yl)methyl]-3-methylbenzenecarboximidamide
CID 114483402
5-ethyl-2-methoxybenzenecarboximidamide
CID 82490617
2-methoxy-5-[[methyl(oxolan-3-yl)amino]methyl]benzenecarboximidamide
CID 82739228
[(3S)-4-[(3-chloro-4-methoxyphenyl)methyl]morpholin-3-yl]methanol
CID 99930605
1-[3-[(3-ethylmorpholin-4-yl)methyl]-4-methoxyphenyl]ethanamine
CID 60860565
4-[(3-ethylmorpholin-4-yl)methyl]-N'-hydroxybenzenecarboximidamide
CID 43613257

Frequently Asked Questions

What is the IUPAC name of 5-[(3-ethylmorpholin-4-yl)methyl]-2-methoxybenzenecarboximidamide?
The IUPAC name of 5-[(3-ethylmorpholin-4-yl)methyl]-2-methoxybenzenecarboximidamide (CID 65338703) is 5-[(3-ethylmorpholin-4-yl)methyl]-2-methoxybenzenecarboximidamide.
What is the SMILES notation for 5-[(3-ethylmorpholin-4-yl)methyl]-2-methoxybenzenecarboximidamide?
The canonical SMILES for 5-[(3-ethylmorpholin-4-yl)methyl]-2-methoxybenzenecarboximidamide is [H]/N=C(\N)c1cc(CN2CCOCC2CC)ccc1OC.
What is the InChIKey of 5-[(3-ethylmorpholin-4-yl)methyl]-2-methoxybenzenecarboximidamide?
The InChIKey is HYQIKRVIQOTLPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-3-12-10-20-7-6-18(12)9-11-4-5-14(19-2)13(8-11)15(16)17/h4-5,8,12H,3,6-7,9-10H2,1-2H3,(H3,16,17).
What are the key properties of 5-[(3-ethylmorpholin-4-yl)methyl]-2-methoxybenzenecarboximidamide?
5-[(3-ethylmorpholin-4-yl)methyl]-2-methoxybenzenecarboximidamide has a molecular weight of 277.37 g/mol, XLogP of 1.59, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-ethylmorpholin-4-yl)methyl]-2-methoxybenzenecarboximidamide is sourced from PubChem (CID 65338703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).