2-methoxy-5-[[methyl(oxan-2-ylmethyl)amino]methyl]benzenecarboximidamide

C16H25N3O2 — CID 65339795

IUPAC2-methoxy-5-[[methyl(oxan-2-ylmethyl)amino]methyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(CN(C)CC2CCCCO2)ccc1OC
InChIInChI=1S/C16H25N3O2/c1-19(11-13-5-3-4-8-21-13)10-12-6-7-15(20-2)14(9-12)16(17)18/h6-7,9,13H,3-5,8,10-11H2,1-2H3,(H3,17,18)
InChIKeyCEUJEQPWRNJOIY-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.98
Rot. Bonds6

About 2-methoxy-5-[[methyl(oxan-2-ylmethyl)amino]methyl]benzenecarboximidamide

2-methoxy-5-[[methyl(oxan-2-ylmethyl)amino]methyl]benzenecarboximidamide (PubChem CID 65339795) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 2-methoxy-5-[[methyl(oxan-2-ylmethyl)amino]methyl]benzenecarboximidamide.

Molecular Properties

Compound Name2-methoxy-5-[[methyl(oxan-2-ylmethyl)amino]methyl]benzenecarboximidamide
PubChem CID65339795
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name2-methoxy-5-[[methyl(oxan-2-ylmethyl)amino]methyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(CN(C)CC2CCCCO2)ccc1OC
InChIInChI=1S/C16H25N3O2/c1-19(11-13-5-3-4-8-21-13)10-12-6-7-15(20-2)14(9-12)16(17)18/h6-7,9,13H,3-5,8,10-11H2,1-2H3,(H3,17,18)
InChIKeyCEUJEQPWRNJOIY-UHFFFAOYSA-N
XLogP1.98
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 ≤ 51.98
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
5-[[cyclohexyl(methyl)amino]methyl]-2-methoxybenzenecarboximidamide
CID 65338837
2-methoxy-5-[[methyl(oxolan-3-yl)amino]methyl]benzenecarboximidamide
CID 82739228
2-methoxy-4-[[methyl(oxan-3-ylmethyl)amino]methyl]benzenecarboximidamide
CID 106790873
[2-ethoxy-5-[[methyl(oxan-2-ylmethyl)amino]methyl]phenyl]methanol
CID 77090517
[2-ethoxy-5-[[methyl-[[(2S)-oxan-2-yl]methyl]amino]methyl]phenyl]methanol
CID 99940029
2-methoxy-5-[[methyl(2-methylsulfanylethyl)amino]methyl]benzenecarboximidamide
CID 112660240
4-[[methyl(oxan-2-ylmethyl)amino]methyl]benzenecarbothioamide
CID 61431885
2-methoxy-5-[[methyl(thiolan-3-yl)amino]methyl]benzenecarboximidamide
CID 65338650
2-methoxy-5-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]benzenecarboximidamide
CID 65340080
N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-1-(oxan-2-yl)methanamine
CID 86911707
2-fluoro-5-[[methyl(oxolan-2-ylmethyl)amino]methyl]benzenecarbothioamide
CID 107879242

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[[methyl(oxan-2-ylmethyl)amino]methyl]benzenecarboximidamide?
The IUPAC name of 2-methoxy-5-[[methyl(oxan-2-ylmethyl)amino]methyl]benzenecarboximidamide (CID 65339795) is 2-methoxy-5-[[methyl(oxan-2-ylmethyl)amino]methyl]benzenecarboximidamide.
What is the SMILES notation for 2-methoxy-5-[[methyl(oxan-2-ylmethyl)amino]methyl]benzenecarboximidamide?
The canonical SMILES for 2-methoxy-5-[[methyl(oxan-2-ylmethyl)amino]methyl]benzenecarboximidamide is [H]/N=C(\N)c1cc(CN(C)CC2CCCCO2)ccc1OC.
What is the InChIKey of 2-methoxy-5-[[methyl(oxan-2-ylmethyl)amino]methyl]benzenecarboximidamide?
The InChIKey is CEUJEQPWRNJOIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-19(11-13-5-3-4-8-21-13)10-12-6-7-15(20-2)14(9-12)16(17)18/h6-7,9,13H,3-5,8,10-11H2,1-2H3,(H3,17,18).
What are the key properties of 2-methoxy-5-[[methyl(oxan-2-ylmethyl)amino]methyl]benzenecarboximidamide?
2-methoxy-5-[[methyl(oxan-2-ylmethyl)amino]methyl]benzenecarboximidamide has a molecular weight of 291.39 g/mol, XLogP of 1.98, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[[methyl(oxan-2-ylmethyl)amino]methyl]benzenecarboximidamide is sourced from PubChem (CID 65339795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).