2-methoxy-4-[[methyl(2-methylbutan-2-yl)amino]methyl]benzenecarboximidamide

C15H25N3O — CID 106790881

IUPAC2-methoxy-4-[[methyl(2-methylbutan-2-yl)amino]methyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(CN(C)C(C)(C)CC)cc1OC
InChIInChI=1S/C15H25N3O/c1-6-15(2,3)18(4)10-11-7-8-12(14(16)17)13(9-11)19-5/h7-9H,6,10H2,1-5H3,(H3,16,17)
InChIKeyBDLRCMZWMILFBP-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.60
Rot. Bonds6

About 2-methoxy-4-[[methyl(2-methylbutan-2-yl)amino]methyl]benzenecarboximidamide

2-methoxy-4-[[methyl(2-methylbutan-2-yl)amino]methyl]benzenecarboximidamide (PubChem CID 106790881) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-methoxy-4-[[methyl(2-methylbutan-2-yl)amino]methyl]benzenecarboximidamide.

Molecular Properties

Compound Name2-methoxy-4-[[methyl(2-methylbutan-2-yl)amino]methyl]benzenecarboximidamide
PubChem CID106790881
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name2-methoxy-4-[[methyl(2-methylbutan-2-yl)amino]methyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(CN(C)C(C)(C)CC)cc1OC
InChIInChI=1S/C15H25N3O/c1-6-15(2,3)18(4)10-11-7-8-12(14(16)17)13(9-11)19-5/h7-9H,6,10H2,1-5H3,(H3,16,17)
InChIKeyBDLRCMZWMILFBP-UHFFFAOYSA-N
XLogP2.60
TPSA62.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(dimethylamino)ethyl-methylamino]methyl]-2-methoxybenzenecarboximidamide
CID 106790869
4-[[ethyl(2-ethylbutyl)amino]methyl]-2-methoxybenzenecarboximidamide
CID 106790693
4-[[ethyl(2-methylpropyl)amino]methyl]-2-methoxybenzenecarboximidamide
CID 106790577
4-[[methyl(2-methylbutan-2-yl)amino]methyl]benzenecarboximidamide
CID 63981703
2-methoxy-4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]benzenecarboximidamide
CID 106790768
2-methoxy-4-(methylsulfanylmethyl)benzenecarboximidamide
CID 106791936
2-methoxy-4-(3,3,3-trifluoropropoxymethyl)benzenecarboximidamide
CID 106791383
4-[[cyclopropyl(3-methylbutyl)amino]methyl]-2-methoxybenzenecarboximidamide
CID 106790755
2-methoxy-5-[[methyl(2-methylbutan-2-yl)amino]methyl]benzoic acid
CID 65339608
2-methoxy-4-(pentan-2-yloxymethyl)benzenecarboximidamide
CID 106791408
2-methoxy-4-methylbenzenecarboximidamide
CID 62306767
2,4-dimethoxybenzenecarboximidamide
CID 4138242

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[[methyl(2-methylbutan-2-yl)amino]methyl]benzenecarboximidamide?
The IUPAC name of 2-methoxy-4-[[methyl(2-methylbutan-2-yl)amino]methyl]benzenecarboximidamide (CID 106790881) is 2-methoxy-4-[[methyl(2-methylbutan-2-yl)amino]methyl]benzenecarboximidamide.
What is the SMILES notation for 2-methoxy-4-[[methyl(2-methylbutan-2-yl)amino]methyl]benzenecarboximidamide?
The canonical SMILES for 2-methoxy-4-[[methyl(2-methylbutan-2-yl)amino]methyl]benzenecarboximidamide is [H]/N=C(\N)c1ccc(CN(C)C(C)(C)CC)cc1OC.
What is the InChIKey of 2-methoxy-4-[[methyl(2-methylbutan-2-yl)amino]methyl]benzenecarboximidamide?
The InChIKey is BDLRCMZWMILFBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-6-15(2,3)18(4)10-11-7-8-12(14(16)17)13(9-11)19-5/h7-9H,6,10H2,1-5H3,(H3,16,17).
What are the key properties of 2-methoxy-4-[[methyl(2-methylbutan-2-yl)amino]methyl]benzenecarboximidamide?
2-methoxy-4-[[methyl(2-methylbutan-2-yl)amino]methyl]benzenecarboximidamide has a molecular weight of 263.38 g/mol, XLogP of 2.60, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-[[methyl(2-methylbutan-2-yl)amino]methyl]benzenecarboximidamide is sourced from PubChem (CID 106790881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).