4-[(4-methoxyphenyl)methoxymethyl]-3-methylbenzenecarboximidamide

C17H20N2O2 — CID 114483735

IUPAC4-[(4-methoxyphenyl)methoxymethyl]-3-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(COCc2ccc(OC)cc2)c(C)c1
InChIInChI=1S/C17H20N2O2/c1-12-9-14(17(18)19)5-6-15(12)11-21-10-13-3-7-16(20-2)8-4-13/h3-9H,10-11H2,1-2H3,(H3,18,19)
InChIKeyMSTKJLKBBMIOFY-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.00
Rot. Bonds6

About 4-[(4-methoxyphenyl)methoxymethyl]-3-methylbenzenecarboximidamide

4-[(4-methoxyphenyl)methoxymethyl]-3-methylbenzenecarboximidamide (PubChem CID 114483735) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 4-[(4-methoxyphenyl)methoxymethyl]-3-methylbenzenecarboximidamide.

Molecular Properties

Compound Name4-[(4-methoxyphenyl)methoxymethyl]-3-methylbenzenecarboximidamide
PubChem CID114483735
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name4-[(4-methoxyphenyl)methoxymethyl]-3-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(COCc2ccc(OC)cc2)c(C)c1
InChIInChI=1S/C17H20N2O2/c1-12-9-14(17(18)19)5-6-15(12)11-21-10-13-3-7-16(20-2)8-4-13/h3-9H,10-11H2,1-2H3,(H3,18,19)
InChIKeyMSTKJLKBBMIOFY-UHFFFAOYSA-N
XLogP3.00
TPSA68.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.00
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

acetic acid;4-[(4-methoxyphenyl)methoxymethyl]benzenecarboximidamide
CID 75537360
4-[(4-chlorophenoxy)methyl]-3-methylbenzenecarboximidamide
CID 114483678
4-(2-ethylbutoxymethyl)-3-methylbenzenecarboximidamide
CID 114208390
4-[(4-bromophenoxy)methyl]-3-methylbenzenecarboximidamide
CID 114483676
4-[[3-[(4-carbamimidoylphenyl)methoxy]-5-methoxyphenoxy]methyl]benzenecarboximidamide
CID 156508325
6-methoxynaphthalene-2-carboximidamide
CID 3274917
4-[(4-methoxyphenyl)methoxymethyl]pyridine-2-carboximidamide
CID 63882445
4-(4-methoxyanilino)-3-methylbenzenecarboximidamide
CID 123739747
6-[(4-methylphenyl)methoxy]naphthalene-2-carboximidamide
CID 131981178
N'-hydroxy-4-[(4-methoxyphenyl)methoxymethyl]benzenecarboximidamide
CID 43196897
4-[(2,5-dimethylphenoxy)methyl]-3-methylbenzenecarboximidamide
CID 114483679
3-fluoro-4-[(4-methoxyphenyl)methoxymethyl]benzenecarbothioamide
CID 28520209

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methoxyphenyl)methoxymethyl]-3-methylbenzenecarboximidamide?
The IUPAC name of 4-[(4-methoxyphenyl)methoxymethyl]-3-methylbenzenecarboximidamide (CID 114483735) is 4-[(4-methoxyphenyl)methoxymethyl]-3-methylbenzenecarboximidamide.
What is the SMILES notation for 4-[(4-methoxyphenyl)methoxymethyl]-3-methylbenzenecarboximidamide?
The canonical SMILES for 4-[(4-methoxyphenyl)methoxymethyl]-3-methylbenzenecarboximidamide is [H]/N=C(\N)c1ccc(COCc2ccc(OC)cc2)c(C)c1.
What is the InChIKey of 4-[(4-methoxyphenyl)methoxymethyl]-3-methylbenzenecarboximidamide?
The InChIKey is MSTKJLKBBMIOFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-12-9-14(17(18)19)5-6-15(12)11-21-10-13-3-7-16(20-2)8-4-13/h3-9H,10-11H2,1-2H3,(H3,18,19).
What are the key properties of 4-[(4-methoxyphenyl)methoxymethyl]-3-methylbenzenecarboximidamide?
4-[(4-methoxyphenyl)methoxymethyl]-3-methylbenzenecarboximidamide has a molecular weight of 284.36 g/mol, XLogP of 3.00, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methoxyphenyl)methoxymethyl]-3-methylbenzenecarboximidamide is sourced from PubChem (CID 114483735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).