5-[(4-chlorophenyl)methoxymethyl]-2-methoxybenzenecarboximidamide

C16H17ClN2O2 — CID 65339965

IUPAC5-[(4-chlorophenyl)methoxymethyl]-2-methoxybenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(COCc2ccc(Cl)cc2)ccc1OC
InChIInChI=1S/C16H17ClN2O2/c1-20-15-7-4-12(8-14(15)16(18)19)10-21-9-11-2-5-13(17)6-3-11/h2-8H,9-10H2,1H3,(H3,18,19)
InChIKeyDJGDXDFKJPWULO-UHFFFAOYSA-N
MW304.78 g/mol
LogP3.35
Rot. Bonds6

About 5-[(4-chlorophenyl)methoxymethyl]-2-methoxybenzenecarboximidamide

5-[(4-chlorophenyl)methoxymethyl]-2-methoxybenzenecarboximidamide (PubChem CID 65339965) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is 5-[(4-chlorophenyl)methoxymethyl]-2-methoxybenzenecarboximidamide.

Molecular Properties

Compound Name5-[(4-chlorophenyl)methoxymethyl]-2-methoxybenzenecarboximidamide
PubChem CID65339965
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC Name5-[(4-chlorophenyl)methoxymethyl]-2-methoxybenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(COCc2ccc(Cl)cc2)ccc1OC
InChIInChI=1S/C16H17ClN2O2/c1-20-15-7-4-12(8-14(15)16(18)19)10-21-9-11-2-5-13(17)6-3-11/h2-8H,9-10H2,1H3,(H3,18,19)
InChIKeyDJGDXDFKJPWULO-UHFFFAOYSA-N
XLogP3.35
TPSA68.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 53.35
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

5-[(4-chloro-2-methylphenoxy)methyl]-2-methoxybenzenecarboximidamide
CID 65340096
5-ethyl-2-methoxybenzenecarboximidamide
CID 82490617
4-[(4-chlorophenyl)methoxy]-3-methoxybenzenecarboximidamide;hydrochloride
CID 82240843
5-[(3,4-difluorophenyl)sulfanylmethyl]-2-methoxybenzenecarboximidamide
CID 65339872
4-chloro-2-methoxybenzenecarboximidamide
CID 63093709
4-chloro-2-[(4-chlorophenyl)methoxy]benzenecarboximidamide
CID 65126032
4-[(2-fluorophenyl)methoxymethyl]-2-methoxybenzenecarboximidamide
CID 106791330
2-methoxy-5-(propylsulfanylmethyl)benzenecarboximidamide
CID 65339779
4-[(4-chlorophenyl)sulfanylmethyl]-2-methoxybenzenecarboximidamide
CID 106791862
4-(2,2-difluoroethoxymethyl)-2-methoxybenzenecarboximidamide
CID 106791374
4-chloro-2-[(4-propan-2-ylphenyl)methoxy]benzenecarboximidamide
CID 114323549
5-[(2-fluorophenyl)sulfanylmethyl]-2-methoxybenzenecarboximidamide
CID 65340206

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chlorophenyl)methoxymethyl]-2-methoxybenzenecarboximidamide?
The IUPAC name of 5-[(4-chlorophenyl)methoxymethyl]-2-methoxybenzenecarboximidamide (CID 65339965) is 5-[(4-chlorophenyl)methoxymethyl]-2-methoxybenzenecarboximidamide.
What is the SMILES notation for 5-[(4-chlorophenyl)methoxymethyl]-2-methoxybenzenecarboximidamide?
The canonical SMILES for 5-[(4-chlorophenyl)methoxymethyl]-2-methoxybenzenecarboximidamide is [H]/N=C(\N)c1cc(COCc2ccc(Cl)cc2)ccc1OC.
What is the InChIKey of 5-[(4-chlorophenyl)methoxymethyl]-2-methoxybenzenecarboximidamide?
The InChIKey is DJGDXDFKJPWULO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2/c1-20-15-7-4-12(8-14(15)16(18)19)10-21-9-11-2-5-13(17)6-3-11/h2-8H,9-10H2,1H3,(H3,18,19).
What are the key properties of 5-[(4-chlorophenyl)methoxymethyl]-2-methoxybenzenecarboximidamide?
5-[(4-chlorophenyl)methoxymethyl]-2-methoxybenzenecarboximidamide has a molecular weight of 304.78 g/mol, XLogP of 3.35, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chlorophenyl)methoxymethyl]-2-methoxybenzenecarboximidamide is sourced from PubChem (CID 65339965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).