4-[(2,6-dimethylphenoxy)methyl]-2-methoxybenzenecarboximidamide

C17H20N2O2 — CID 106791185

IUPAC4-[(2,6-dimethylphenoxy)methyl]-2-methoxybenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(COc2c(C)cccc2C)cc1OC
InChIInChI=1S/C17H20N2O2/c1-11-5-4-6-12(2)16(11)21-10-13-7-8-14(17(18)19)15(9-13)20-3/h4-9H,10H2,1-3H3,(H3,18,19)
InChIKeyOIKPLHNQBKVJIU-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.18
Rot. Bonds5

About 4-[(2,6-dimethylphenoxy)methyl]-2-methoxybenzenecarboximidamide

4-[(2,6-dimethylphenoxy)methyl]-2-methoxybenzenecarboximidamide (PubChem CID 106791185) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 4-[(2,6-dimethylphenoxy)methyl]-2-methoxybenzenecarboximidamide.

Molecular Properties

Compound Name4-[(2,6-dimethylphenoxy)methyl]-2-methoxybenzenecarboximidamide
PubChem CID106791185
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name4-[(2,6-dimethylphenoxy)methyl]-2-methoxybenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(COc2c(C)cccc2C)cc1OC
InChIInChI=1S/C17H20N2O2/c1-11-5-4-6-12(2)16(11)21-10-13-7-8-14(17(18)19)15(9-13)20-3/h4-9H,10H2,1-3H3,(H3,18,19)
InChIKeyOIKPLHNQBKVJIU-UHFFFAOYSA-N
XLogP3.18
TPSA68.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.18
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-[(2,4-dimethylphenoxy)methyl]-2-methoxybenzenecarboximidamide
CID 106791193
4-[(4-bromophenoxy)methyl]-2-methoxybenzenecarboximidamide
CID 106791107
2-[4-(hydroxymethyl)-2-methoxyphenoxy]-3-methylbenzenecarboximidamide
CID 107743296
4-(2,2-difluoroethoxymethyl)-2-methoxybenzenecarboximidamide
CID 106791374
2-methoxy-4-(methylsulfanylmethyl)benzenecarboximidamide
CID 106791936
2-[(3-chlorophenyl)methoxy]-3-methoxybenzenecarboximidamide
CID 82240842
3-methoxy-2-[(4-methoxyphenyl)methoxy]benzenecarboximidamide;hydrochloride
CID 82253777
4-[(2-fluorophenyl)methoxymethyl]-2-methoxybenzenecarboximidamide
CID 106791330
4-chloro-2-[(3-methoxyphenyl)methoxy]benzenecarboximidamide
CID 63092175
4-methoxy-2-[(4-methoxyphenyl)methoxy]benzenecarboximidamide
CID 81300051
2-methoxy-4-methylbenzenecarboximidamide
CID 62306767
2-methoxy-4-(pentan-2-yloxymethyl)benzenecarboximidamide
CID 106791408

Frequently Asked Questions

What is the IUPAC name of 4-[(2,6-dimethylphenoxy)methyl]-2-methoxybenzenecarboximidamide?
The IUPAC name of 4-[(2,6-dimethylphenoxy)methyl]-2-methoxybenzenecarboximidamide (CID 106791185) is 4-[(2,6-dimethylphenoxy)methyl]-2-methoxybenzenecarboximidamide.
What is the SMILES notation for 4-[(2,6-dimethylphenoxy)methyl]-2-methoxybenzenecarboximidamide?
The canonical SMILES for 4-[(2,6-dimethylphenoxy)methyl]-2-methoxybenzenecarboximidamide is [H]/N=C(\N)c1ccc(COc2c(C)cccc2C)cc1OC.
What is the InChIKey of 4-[(2,6-dimethylphenoxy)methyl]-2-methoxybenzenecarboximidamide?
The InChIKey is OIKPLHNQBKVJIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-11-5-4-6-12(2)16(11)21-10-13-7-8-14(17(18)19)15(9-13)20-3/h4-9H,10H2,1-3H3,(H3,18,19).
What are the key properties of 4-[(2,6-dimethylphenoxy)methyl]-2-methoxybenzenecarboximidamide?
4-[(2,6-dimethylphenoxy)methyl]-2-methoxybenzenecarboximidamide has a molecular weight of 284.36 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,6-dimethylphenoxy)methyl]-2-methoxybenzenecarboximidamide is sourced from PubChem (CID 106791185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).