2-methoxy-5-[[methyl(2-propan-2-yloxyethyl)amino]methyl]benzenecarboximidamide

C15H25N3O2 — CID 81056628

IUPAC2-methoxy-5-[[methyl(2-propan-2-yloxyethyl)amino]methyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(CN(C)CCOC(C)C)ccc1OC
InChIInChI=1S/C15H25N3O2/c1-11(2)20-8-7-18(3)10-12-5-6-14(19-4)13(9-12)15(16)17/h5-6,9,11H,7-8,10H2,1-4H3,(H3,16,17)
InChIKeyYRCAIZOFHCDKFX-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.84
Rot. Bonds8

About 2-methoxy-5-[[methyl(2-propan-2-yloxyethyl)amino]methyl]benzenecarboximidamide

2-methoxy-5-[[methyl(2-propan-2-yloxyethyl)amino]methyl]benzenecarboximidamide (PubChem CID 81056628) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 2-methoxy-5-[[methyl(2-propan-2-yloxyethyl)amino]methyl]benzenecarboximidamide.

Molecular Properties

Compound Name2-methoxy-5-[[methyl(2-propan-2-yloxyethyl)amino]methyl]benzenecarboximidamide
PubChem CID81056628
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name2-methoxy-5-[[methyl(2-propan-2-yloxyethyl)amino]methyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(CN(C)CCOC(C)C)ccc1OC
InChIInChI=1S/C15H25N3O2/c1-11(2)20-8-7-18(3)10-12-5-6-14(19-4)13(9-12)15(16)17/h5-6,9,11H,7-8,10H2,1-4H3,(H3,16,17)
InChIKeyYRCAIZOFHCDKFX-UHFFFAOYSA-N
XLogP1.84
TPSA71.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
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

2-methoxy-5-[[methyl(2-methylsulfanylethyl)amino]methyl]benzenecarboximidamide
CID 112660240
2-methoxy-5-[[methyl(2-propan-2-yloxyethyl)amino]methyl]phenol
CID 79310118
N-[[3-(aminomethyl)-4-methoxyphenyl]methyl]-N-methyl-2-propan-2-yloxyethanamine
CID 81058780
5-[[cyclobutylmethyl(methyl)amino]methyl]-2-methoxybenzenecarboximidamide
CID 65340374
4-[[2-(dimethylamino)ethyl-methylamino]methyl]-2-methoxybenzenecarboximidamide
CID 106790869
5-[(4-fluoro-N-methylanilino)methyl]-2-methoxybenzenecarboximidamide
CID 65339992
2-methoxy-5-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]benzenecarboximidamide
CID 65340080
5-ethyl-2-methoxybenzenecarboximidamide
CID 82490617
5-[[cyclopropyl(3-methylbutyl)amino]methyl]-2-methoxybenzenecarboximidamide
CID 79005303
5-[[cyclohexyl(methyl)amino]methyl]-2-methoxybenzenecarboximidamide
CID 65338837
2-methoxy-5-[[methyl(oxan-2-ylmethyl)amino]methyl]benzenecarboximidamide
CID 65339795
1-(3,4-dimethoxyphenyl)-2-[methyl(2-propan-2-yloxyethyl)amino]ethanol
CID 81036228

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[[methyl(2-propan-2-yloxyethyl)amino]methyl]benzenecarboximidamide?
The IUPAC name of 2-methoxy-5-[[methyl(2-propan-2-yloxyethyl)amino]methyl]benzenecarboximidamide (CID 81056628) is 2-methoxy-5-[[methyl(2-propan-2-yloxyethyl)amino]methyl]benzenecarboximidamide.
What is the SMILES notation for 2-methoxy-5-[[methyl(2-propan-2-yloxyethyl)amino]methyl]benzenecarboximidamide?
The canonical SMILES for 2-methoxy-5-[[methyl(2-propan-2-yloxyethyl)amino]methyl]benzenecarboximidamide is [H]/N=C(\N)c1cc(CN(C)CCOC(C)C)ccc1OC.
What is the InChIKey of 2-methoxy-5-[[methyl(2-propan-2-yloxyethyl)amino]methyl]benzenecarboximidamide?
The InChIKey is YRCAIZOFHCDKFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-11(2)20-8-7-18(3)10-12-5-6-14(19-4)13(9-12)15(16)17/h5-6,9,11H,7-8,10H2,1-4H3,(H3,16,17).
What are the key properties of 2-methoxy-5-[[methyl(2-propan-2-yloxyethyl)amino]methyl]benzenecarboximidamide?
2-methoxy-5-[[methyl(2-propan-2-yloxyethyl)amino]methyl]benzenecarboximidamide has a molecular weight of 279.38 g/mol, XLogP of 1.84, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[[methyl(2-propan-2-yloxyethyl)amino]methyl]benzenecarboximidamide is sourced from PubChem (CID 81056628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).