4-[(2,6-dimethoxyphenyl)methoxy]-3-methoxybenzenecarboximidamide;hydrochloride

C17H21ClN2O4 — CID 82253903

IUPAC4-[(2,6-dimethoxyphenyl)methoxy]-3-methoxybenzenecarboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1ccc(OCc2c(OC)cccc2OC)c(OC)c1
InChIInChI=1S/C17H20N2O4.ClH/c1-20-13-5-4-6-14(21-2)12(13)10-23-15-8-7-11(17(18)19)9-16(15)22-3;/h4-9H,10H2,1-3H3,(H3,18,19);1H
InChIKeyXSCDAFMDHVNROX-UHFFFAOYSA-N
MW352.82 g/mol
LogP3.00
Rot. Bonds7

About 4-[(2,6-dimethoxyphenyl)methoxy]-3-methoxybenzenecarboximidamide;hydrochloride

4-[(2,6-dimethoxyphenyl)methoxy]-3-methoxybenzenecarboximidamide;hydrochloride (PubChem CID 82253903) has the molecular formula C17H21ClN2O4 and a molecular weight of 352.82 g/mol. Its IUPAC name is 4-[(2,6-dimethoxyphenyl)methoxy]-3-methoxybenzenecarboximidamide;hydrochloride.

Molecular Properties

Compound Name4-[(2,6-dimethoxyphenyl)methoxy]-3-methoxybenzenecarboximidamide;hydrochloride
PubChem CID82253903
Molecular FormulaC17H21ClN2O4
Molecular Weight352.82 g/mol
Exact Mass352.12
IUPAC Name4-[(2,6-dimethoxyphenyl)methoxy]-3-methoxybenzenecarboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1ccc(OCc2c(OC)cccc2OC)c(OC)c1
InChIInChI=1S/C17H20N2O4.ClH/c1-20-13-5-4-6-14(21-2)12(13)10-23-15-8-7-11(17(18)19)9-16(15)22-3;/h4-9H,10H2,1-3H3,(H3,18,19);1H
InChIKeyXSCDAFMDHVNROX-UHFFFAOYSA-N
XLogP3.00
TPSA86.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.82
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

3-methoxy-4-(pyridin-4-ylmethoxy)benzenecarboximidamide;hydrochloride
CID 82253528
4-[(4-chlorophenyl)methoxy]-3-methoxybenzenecarboximidamide;hydrochloride
CID 82240843
3-methoxy-4-propoxybenzenecarboximidamide
CID 24709016
3-[(2-methoxy-4-methylphenoxy)methyl]benzenecarboximidamide
CID 24709656
3-methoxy-4-[(2-nitrophenyl)methoxy]benzenecarboximidamide
CID 82253849
4-(3-fluoropropoxy)-3-methoxybenzenecarboximidamide
CID 81106848
3-methoxy-4-(3-methoxy-3-methylbutoxy)benzenecarboximidamide
CID 103033943
3-methoxy-4-(3-methylsulfonylpropoxy)benzenecarboximidamide
CID 55160801
3-fluoro-4-[(2-methoxy-5-methylphenyl)methoxy]benzenecarboximidamide
CID 107666516
3-[(5-chloro-2-methoxyphenyl)methoxy]-4-methylbenzenecarboximidamide
CID 107657180
4-[2-(2-methoxyphenoxy)ethoxy]benzenecarboximidamide
CID 61300207
4-[[3-[(4-carbamimidoyl-2-methoxyphenyl)methoxy]-5-methylphenoxy]methyl]-3-methoxybenzenecarboximidamide
CID 157208014

Frequently Asked Questions

What is the IUPAC name of 4-[(2,6-dimethoxyphenyl)methoxy]-3-methoxybenzenecarboximidamide;hydrochloride?
The IUPAC name of 4-[(2,6-dimethoxyphenyl)methoxy]-3-methoxybenzenecarboximidamide;hydrochloride (CID 82253903) is 4-[(2,6-dimethoxyphenyl)methoxy]-3-methoxybenzenecarboximidamide;hydrochloride.
What is the SMILES notation for 4-[(2,6-dimethoxyphenyl)methoxy]-3-methoxybenzenecarboximidamide;hydrochloride?
The canonical SMILES for 4-[(2,6-dimethoxyphenyl)methoxy]-3-methoxybenzenecarboximidamide;hydrochloride is Cl.[H]/N=C(\N)c1ccc(OCc2c(OC)cccc2OC)c(OC)c1.
What is the InChIKey of 4-[(2,6-dimethoxyphenyl)methoxy]-3-methoxybenzenecarboximidamide;hydrochloride?
The InChIKey is XSCDAFMDHVNROX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4.ClH/c1-20-13-5-4-6-14(21-2)12(13)10-23-15-8-7-11(17(18)19)9-16(15)22-3;/h4-9H,10H2,1-3H3,(H3,18,19);1H.
What are the key properties of 4-[(2,6-dimethoxyphenyl)methoxy]-3-methoxybenzenecarboximidamide;hydrochloride?
4-[(2,6-dimethoxyphenyl)methoxy]-3-methoxybenzenecarboximidamide;hydrochloride has a molecular weight of 352.82 g/mol, XLogP of 3.00, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,6-dimethoxyphenyl)methoxy]-3-methoxybenzenecarboximidamide;hydrochloride is sourced from PubChem (CID 82253903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).