2-chloro-6-(2,6-dimethoxyphenoxy)benzenecarboximidamide

C15H15ClN2O3 — CID 62496011

IUPAC2-chloro-6-(2,6-dimethoxyphenoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1c(Cl)cccc1Oc1c(OC)cccc1OC
InChIInChI=1S/C15H15ClN2O3/c1-19-11-7-4-8-12(20-2)14(11)21-10-6-3-5-9(16)13(10)15(17)18/h3-8H,1-2H3,(H3,17,18)
InChIKeyPXVYOYMMDWWIBX-UHFFFAOYSA-N
MW306.75 g/mol
LogP3.43
Rot. Bonds5

About 2-chloro-6-(2,6-dimethoxyphenoxy)benzenecarboximidamide

2-chloro-6-(2,6-dimethoxyphenoxy)benzenecarboximidamide (PubChem CID 62496011) has the molecular formula C15H15ClN2O3 and a molecular weight of 306.75 g/mol. Its IUPAC name is 2-chloro-6-(2,6-dimethoxyphenoxy)benzenecarboximidamide.

Molecular Properties

Compound Name2-chloro-6-(2,6-dimethoxyphenoxy)benzenecarboximidamide
PubChem CID62496011
Molecular FormulaC15H15ClN2O3
Molecular Weight306.75 g/mol
Exact Mass306.08
IUPAC Name2-chloro-6-(2,6-dimethoxyphenoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1c(Cl)cccc1Oc1c(OC)cccc1OC
InChIInChI=1S/C15H15ClN2O3/c1-19-11-7-4-8-12(20-2)14(11)21-10-6-3-5-9(16)13(10)15(17)18/h3-8H,1-2H3,(H3,17,18)
InChIKeyPXVYOYMMDWWIBX-UHFFFAOYSA-N
XLogP3.43
TPSA77.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.75
LogP ≤ 53.43
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-chloro-6-(4-chloro-2,6-dimethylphenoxy)benzenecarboximidamide
CID 63525012
2-chloro-6-(2,6-dimethoxyphenoxy)benzenecarbothioamide
CID 62495368
2-chloro-6-phenoxybenzenecarboximidamide
CID 53416807
2-chloro-6-(3,5-dichlorophenoxy)benzenecarboximidamide
CID 63524494
2-chloro-6-(3-methylphenoxy)benzenecarboximidamide
CID 62496843
2-chloro-6-(2,5-dichlorophenoxy)benzenecarboximidamide
CID 55079607
2-chloro-6-(4-methylsulfonylphenoxy)benzenecarboximidamide
CID 62495683
2-(2-bromo-6-nitrophenoxy)-6-chlorobenzenecarboximidamide
CID 81495765
2-hydroxy-6-methoxybenzenecarboximidamide;hydrochloride
CID 171703209
1,2-dichloro-3-(2,6-dimethoxyphenoxy)benzene
CID 173291827
2-chloro-6-(2-methylbutan-2-yloxy)benzenecarboximidamide
CID 62497195
2-chloro-6-[(2-ethyl-6-methyl-3-pyridinyl)oxy]benzenecarboximidamide
CID 103174833

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(2,6-dimethoxyphenoxy)benzenecarboximidamide?
The IUPAC name of 2-chloro-6-(2,6-dimethoxyphenoxy)benzenecarboximidamide (CID 62496011) is 2-chloro-6-(2,6-dimethoxyphenoxy)benzenecarboximidamide.
What is the SMILES notation for 2-chloro-6-(2,6-dimethoxyphenoxy)benzenecarboximidamide?
The canonical SMILES for 2-chloro-6-(2,6-dimethoxyphenoxy)benzenecarboximidamide is [H]/N=C(\N)c1c(Cl)cccc1Oc1c(OC)cccc1OC.
What is the InChIKey of 2-chloro-6-(2,6-dimethoxyphenoxy)benzenecarboximidamide?
The InChIKey is PXVYOYMMDWWIBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O3/c1-19-11-7-4-8-12(20-2)14(11)21-10-6-3-5-9(16)13(10)15(17)18/h3-8H,1-2H3,(H3,17,18).
What are the key properties of 2-chloro-6-(2,6-dimethoxyphenoxy)benzenecarboximidamide?
2-chloro-6-(2,6-dimethoxyphenoxy)benzenecarboximidamide has a molecular weight of 306.75 g/mol, XLogP of 3.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(2,6-dimethoxyphenoxy)benzenecarboximidamide is sourced from PubChem (CID 62496011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).