2-methoxy-4-[[methyl(oxan-3-ylmethyl)amino]methyl]benzenecarboximidamide

C16H25N3O2 — CID 106790873

IUPAC2-methoxy-4-[[methyl(oxan-3-ylmethyl)amino]methyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(CN(C)CC2CCCOC2)cc1OC
InChIInChI=1S/C16H25N3O2/c1-19(10-13-4-3-7-21-11-13)9-12-5-6-14(16(17)18)15(8-12)20-2/h5-6,8,13H,3-4,7,9-11H2,1-2H3,(H3,17,18)
InChIKeyROCVUGSJBOTBIJ-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.84
Rot. Bonds6

About 2-methoxy-4-[[methyl(oxan-3-ylmethyl)amino]methyl]benzenecarboximidamide

2-methoxy-4-[[methyl(oxan-3-ylmethyl)amino]methyl]benzenecarboximidamide (PubChem CID 106790873) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 2-methoxy-4-[[methyl(oxan-3-ylmethyl)amino]methyl]benzenecarboximidamide.

Molecular Properties

Compound Name2-methoxy-4-[[methyl(oxan-3-ylmethyl)amino]methyl]benzenecarboximidamide
PubChem CID106790873
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name2-methoxy-4-[[methyl(oxan-3-ylmethyl)amino]methyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(CN(C)CC2CCCOC2)cc1OC
InChIInChI=1S/C16H25N3O2/c1-19(10-13-4-3-7-21-11-13)9-12-5-6-14(16(17)18)15(8-12)20-2/h5-6,8,13H,3-4,7,9-11H2,1-2H3,(H3,17,18)
InChIKeyROCVUGSJBOTBIJ-UHFFFAOYSA-N
XLogP1.84
TPSA71.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.84
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-[[cyclobutylmethyl(methyl)amino]methyl]-2-methoxybenzenecarboximidamide
CID 65340374
4-[[methyl(oxan-3-ylmethyl)amino]methyl]pyridine-2-carboximidamide
CID 63882050
5-fluoro-2-[[methyl(oxan-3-ylmethyl)amino]methyl]benzenecarboximidamide
CID 63711867
2-[[methyl(oxan-3-ylmethyl)amino]methyl]benzenecarboximidamide
CID 63711689
4-[[2-(dimethylamino)ethyl-methylamino]methyl]-2-methoxybenzenecarboximidamide
CID 106790869
2-methoxy-5-[[methyl(oxan-2-ylmethyl)amino]methyl]benzenecarboximidamide
CID 65339795
[4-methoxy-3-[[methyl(oxan-3-ylmethyl)amino]methyl]phenyl]methanol
CID 63711599
4-[[cyclobutylmethyl(methyl)amino]methyl]-N'-hydroxy-2-methoxybenzenecarboximidamide
CID 106789379
2-methoxy-5-[[methyl(oxolan-3-yl)amino]methyl]benzenecarboximidamide
CID 82739228
3-methoxy-4-[[methyl(oxan-3-ylmethyl)amino]methyl]aniline
CID 107208438
4-(2-cyclobutylethoxymethyl)-2-methoxybenzenecarboximidamide
CID 106202148
2-methoxy-4-(oxolan-2-ylmethoxymethyl)benzenecarboximidamide
CID 106791157

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[[methyl(oxan-3-ylmethyl)amino]methyl]benzenecarboximidamide?
The IUPAC name of 2-methoxy-4-[[methyl(oxan-3-ylmethyl)amino]methyl]benzenecarboximidamide (CID 106790873) is 2-methoxy-4-[[methyl(oxan-3-ylmethyl)amino]methyl]benzenecarboximidamide.
What is the SMILES notation for 2-methoxy-4-[[methyl(oxan-3-ylmethyl)amino]methyl]benzenecarboximidamide?
The canonical SMILES for 2-methoxy-4-[[methyl(oxan-3-ylmethyl)amino]methyl]benzenecarboximidamide is [H]/N=C(\N)c1ccc(CN(C)CC2CCCOC2)cc1OC.
What is the InChIKey of 2-methoxy-4-[[methyl(oxan-3-ylmethyl)amino]methyl]benzenecarboximidamide?
The InChIKey is ROCVUGSJBOTBIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-19(10-13-4-3-7-21-11-13)9-12-5-6-14(16(17)18)15(8-12)20-2/h5-6,8,13H,3-4,7,9-11H2,1-2H3,(H3,17,18).
What are the key properties of 2-methoxy-4-[[methyl(oxan-3-ylmethyl)amino]methyl]benzenecarboximidamide?
2-methoxy-4-[[methyl(oxan-3-ylmethyl)amino]methyl]benzenecarboximidamide has a molecular weight of 291.39 g/mol, XLogP of 1.84, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-[[methyl(oxan-3-ylmethyl)amino]methyl]benzenecarboximidamide is sourced from PubChem (CID 106790873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).