3-[(5-chloro-2-methoxyphenyl)methoxy]-4-methylbenzenecarboximidamide

C16H17ClN2O2 — CID 107657180

IUPAC3-[(5-chloro-2-methoxyphenyl)methoxy]-4-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(C)c(OCc2cc(Cl)ccc2OC)c1
InChIInChI=1S/C16H17ClN2O2/c1-10-3-4-11(16(18)19)8-15(10)21-9-12-7-13(17)5-6-14(12)20-2/h3-8H,9H2,1-2H3,(H3,18,19)
InChIKeyJFBHHAOQRJEOOY-UHFFFAOYSA-N
MW304.78 g/mol
LogP3.52
Rot. Bonds5

About 3-[(5-chloro-2-methoxyphenyl)methoxy]-4-methylbenzenecarboximidamide

3-[(5-chloro-2-methoxyphenyl)methoxy]-4-methylbenzenecarboximidamide (PubChem CID 107657180) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is 3-[(5-chloro-2-methoxyphenyl)methoxy]-4-methylbenzenecarboximidamide.

Molecular Properties

Compound Name3-[(5-chloro-2-methoxyphenyl)methoxy]-4-methylbenzenecarboximidamide
PubChem CID107657180
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC Name3-[(5-chloro-2-methoxyphenyl)methoxy]-4-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(C)c(OCc2cc(Cl)ccc2OC)c1
InChIInChI=1S/C16H17ClN2O2/c1-10-3-4-11(16(18)19)8-15(10)21-9-12-7-13(17)5-6-14(12)20-2/h3-8H,9H2,1-2H3,(H3,18,19)
InChIKeyJFBHHAOQRJEOOY-UHFFFAOYSA-N
XLogP3.52
TPSA68.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 53.52
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-[(4-chloro-2-methylphenoxy)methyl]-3-methylbenzenecarboximidamide
CID 114483691
3-fluoro-4-[(2-methoxy-5-methylphenyl)methoxy]benzenecarboximidamide
CID 107666516
4-[(4-chlorophenyl)methoxy]-3-methoxybenzenecarboximidamide;hydrochloride
CID 82240843
3-[(2-bromo-5-methoxyphenyl)methoxy]-4-methylbenzenecarboximidamide
CID 107657260
2-[(5-bromo-2-methylphenoxy)methyl]-4-chloro-1-methoxybenzene
CID 107284239
4-[(2,5-dimethylphenoxy)methyl]-3-methylbenzenecarboximidamide
CID 114483679
3-[(4-chloro-3-fluorophenyl)methoxy]-4-methylbenzenecarboximidamide
CID 107881722
3-[(3,5-dimethylphenyl)methoxy]-4-methylbenzenecarboximidamide
CID 107657148
4-[(4-chlorophenoxy)methyl]-3-methylbenzenecarboximidamide
CID 114483678
5-[(4-chloro-2-methylphenoxy)methyl]-2-methoxybenzenecarboximidamide
CID 65340096
3-fluoro-4-[(2-fluoro-4-methoxyphenyl)methoxy]benzenecarboximidamide
CID 107666555
4-[(2,6-dimethoxyphenyl)methoxy]-3-methoxybenzenecarboximidamide;hydrochloride
CID 82253903

Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloro-2-methoxyphenyl)methoxy]-4-methylbenzenecarboximidamide?
The IUPAC name of 3-[(5-chloro-2-methoxyphenyl)methoxy]-4-methylbenzenecarboximidamide (CID 107657180) is 3-[(5-chloro-2-methoxyphenyl)methoxy]-4-methylbenzenecarboximidamide.
What is the SMILES notation for 3-[(5-chloro-2-methoxyphenyl)methoxy]-4-methylbenzenecarboximidamide?
The canonical SMILES for 3-[(5-chloro-2-methoxyphenyl)methoxy]-4-methylbenzenecarboximidamide is [H]/N=C(\N)c1ccc(C)c(OCc2cc(Cl)ccc2OC)c1.
What is the InChIKey of 3-[(5-chloro-2-methoxyphenyl)methoxy]-4-methylbenzenecarboximidamide?
The InChIKey is JFBHHAOQRJEOOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2/c1-10-3-4-11(16(18)19)8-15(10)21-9-12-7-13(17)5-6-14(12)20-2/h3-8H,9H2,1-2H3,(H3,18,19).
What are the key properties of 3-[(5-chloro-2-methoxyphenyl)methoxy]-4-methylbenzenecarboximidamide?
3-[(5-chloro-2-methoxyphenyl)methoxy]-4-methylbenzenecarboximidamide has a molecular weight of 304.78 g/mol, XLogP of 3.52, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chloro-2-methoxyphenyl)methoxy]-4-methylbenzenecarboximidamide is sourced from PubChem (CID 107657180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).