3-methoxy-2-[(3-nitrophenyl)methoxy]benzenecarboximidamide;hydrochloride

C15H16ClN3O4 — CID 82253852

IUPAC3-methoxy-2-[(3-nitrophenyl)methoxy]benzenecarboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1cccc(OC)c1OCc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C15H15N3O4.ClH/c1-21-13-7-3-6-12(15(16)17)14(13)22-9-10-4-2-5-11(8-10)18(19)20;/h2-8H,9H2,1H3,(H3,16,17);1H
InChIKeyDIJGPOBSHUVZBB-UHFFFAOYSA-N
MW337.76 g/mol
LogP2.89
Rot. Bonds6

About 3-methoxy-2-[(3-nitrophenyl)methoxy]benzenecarboximidamide;hydrochloride

3-methoxy-2-[(3-nitrophenyl)methoxy]benzenecarboximidamide;hydrochloride (PubChem CID 82253852) has the molecular formula C15H16ClN3O4 and a molecular weight of 337.76 g/mol. Its IUPAC name is 3-methoxy-2-[(3-nitrophenyl)methoxy]benzenecarboximidamide;hydrochloride.

Molecular Properties

Compound Name3-methoxy-2-[(3-nitrophenyl)methoxy]benzenecarboximidamide;hydrochloride
PubChem CID82253852
Molecular FormulaC15H16ClN3O4
Molecular Weight337.76 g/mol
Exact Mass337.08
IUPAC Name3-methoxy-2-[(3-nitrophenyl)methoxy]benzenecarboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1cccc(OC)c1OCc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C15H15N3O4.ClH/c1-21-13-7-3-6-12(15(16)17)14(13)22-9-10-4-2-5-11(8-10)18(19)20;/h2-8H,9H2,1H3,(H3,16,17);1H
InChIKeyDIJGPOBSHUVZBB-UHFFFAOYSA-N
XLogP2.89
TPSA111.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.76
LogP ≤ 52.89
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'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(3-chlorophenyl)methoxy]-3-methoxybenzenecarboximidamide
CID 82240842
3-methoxy-2-[(2-nitrophenyl)methoxy]benzenecarboximidamide
CID 82253851
3-methoxy-2-(pyridin-4-ylmethoxy)benzenecarboximidamide;hydrochloride
CID 82240729
2-ethoxy-3-methoxybenzenecarboximidamide;hydrochloride
CID 82240558
3-methoxy-2-[(3-nitrophenyl)methoxy]benzonitrile
CID 2973917
2-(2-carbamimidoyl-6-methoxyphenoxy)-N-methylacetamide
CID 82253340
4-[(2,6-dimethylphenoxy)methyl]-2-methoxybenzenecarboximidamide
CID 106791185
4-[(3-nitrophenoxy)methyl]benzenecarboximidamide
CID 61032290
[3-methoxy-4-[(3-nitrophenyl)methoxy]-5-prop-2-enylphenyl]methanol
CID 45371698
2-[(3-nitrophenyl)methoxy]aniline
CID 55032299
1-[3-methoxy-4-[(3-nitrophenyl)methoxy]phenyl]ethanone
CID 26054490
(3-nitrophenyl)methyl 3-(2,3-dimethoxyphenyl)prop-2-enoate
CID 4600569

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-[(3-nitrophenyl)methoxy]benzenecarboximidamide;hydrochloride?
The IUPAC name of 3-methoxy-2-[(3-nitrophenyl)methoxy]benzenecarboximidamide;hydrochloride (CID 82253852) is 3-methoxy-2-[(3-nitrophenyl)methoxy]benzenecarboximidamide;hydrochloride.
What is the SMILES notation for 3-methoxy-2-[(3-nitrophenyl)methoxy]benzenecarboximidamide;hydrochloride?
The canonical SMILES for 3-methoxy-2-[(3-nitrophenyl)methoxy]benzenecarboximidamide;hydrochloride is Cl.[H]/N=C(\N)c1cccc(OC)c1OCc1cccc([N+](=O)[O-])c1.
What is the InChIKey of 3-methoxy-2-[(3-nitrophenyl)methoxy]benzenecarboximidamide;hydrochloride?
The InChIKey is DIJGPOBSHUVZBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O4.ClH/c1-21-13-7-3-6-12(15(16)17)14(13)22-9-10-4-2-5-11(8-10)18(19)20;/h2-8H,9H2,1H3,(H3,16,17);1H.
What are the key properties of 3-methoxy-2-[(3-nitrophenyl)methoxy]benzenecarboximidamide;hydrochloride?
3-methoxy-2-[(3-nitrophenyl)methoxy]benzenecarboximidamide;hydrochloride has a molecular weight of 337.76 g/mol, XLogP of 2.89, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-[(3-nitrophenyl)methoxy]benzenecarboximidamide;hydrochloride is sourced from PubChem (CID 82253852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).