3-[(3,5-dimethylphenyl)methoxy]-4-methylbenzenecarboximidamide

C17H20N2O — CID 107657148

IUPAC3-[(3,5-dimethylphenyl)methoxy]-4-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(C)c(OCc2cc(C)cc(C)c2)c1
InChIInChI=1S/C17H20N2O/c1-11-6-12(2)8-14(7-11)10-20-16-9-15(17(18)19)5-4-13(16)3/h4-9H,10H2,1-3H3,(H3,18,19)
InChIKeyOTCHWOSLISXAFP-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.47
Rot. Bonds4

About 3-[(3,5-dimethylphenyl)methoxy]-4-methylbenzenecarboximidamide

3-[(3,5-dimethylphenyl)methoxy]-4-methylbenzenecarboximidamide (PubChem CID 107657148) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 3-[(3,5-dimethylphenyl)methoxy]-4-methylbenzenecarboximidamide.

Molecular Properties

Compound Name3-[(3,5-dimethylphenyl)methoxy]-4-methylbenzenecarboximidamide
PubChem CID107657148
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name3-[(3,5-dimethylphenyl)methoxy]-4-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(C)c(OCc2cc(C)cc(C)c2)c1
InChIInChI=1S/C17H20N2O/c1-11-6-12(2)8-14(7-11)10-20-16-9-15(17(18)19)5-4-13(16)3/h4-9H,10H2,1-3H3,(H3,18,19)
InChIKeyOTCHWOSLISXAFP-UHFFFAOYSA-N
XLogP3.47
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-[(2,5-dimethylphenoxy)methyl]-3-methylbenzenecarboximidamide
CID 114483679
3-[(4-chloro-3-fluorophenyl)methoxy]-4-methylbenzenecarboximidamide
CID 107881722
3-[(1-ethylpyrazol-4-yl)methoxy]-4-methylbenzenecarboximidamide
CID 107657153
3-(2,2-difluoroethoxy)-4-methylbenzenecarboximidamide
CID 107657141
3-[(2-methylphenoxy)methyl]benzenecarboximidamide
CID 24701017
3-[[3-[(3-carbamimidoylphenoxy)methyl]-5-methylphenyl]methoxy]benzenecarboximidamide;dihydrochloride
CID 156508315
4-[(3,4-dimethylphenyl)methoxy]-3-fluorobenzenecarboximidamide
CID 107666681
4-methyl-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzenecarboximidamide
CID 107657059
3-[(2-bromo-5-methoxyphenyl)methoxy]-4-methylbenzenecarboximidamide
CID 107657260
3-[(5-chloro-2-methoxyphenyl)methoxy]-4-methylbenzenecarboximidamide
CID 107657180
3-[2-(diethylamino)ethoxy]-4-methylbenzenecarboximidamide
CID 107912552
6-[(4-methylphenyl)methoxy]naphthalene-2-carboximidamide
CID 131981178

Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-dimethylphenyl)methoxy]-4-methylbenzenecarboximidamide?
The IUPAC name of 3-[(3,5-dimethylphenyl)methoxy]-4-methylbenzenecarboximidamide (CID 107657148) is 3-[(3,5-dimethylphenyl)methoxy]-4-methylbenzenecarboximidamide.
What is the SMILES notation for 3-[(3,5-dimethylphenyl)methoxy]-4-methylbenzenecarboximidamide?
The canonical SMILES for 3-[(3,5-dimethylphenyl)methoxy]-4-methylbenzenecarboximidamide is [H]/N=C(\N)c1ccc(C)c(OCc2cc(C)cc(C)c2)c1.
What is the InChIKey of 3-[(3,5-dimethylphenyl)methoxy]-4-methylbenzenecarboximidamide?
The InChIKey is OTCHWOSLISXAFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-11-6-12(2)8-14(7-11)10-20-16-9-15(17(18)19)5-4-13(16)3/h4-9H,10H2,1-3H3,(H3,18,19).
What are the key properties of 3-[(3,5-dimethylphenyl)methoxy]-4-methylbenzenecarboximidamide?
3-[(3,5-dimethylphenyl)methoxy]-4-methylbenzenecarboximidamide has a molecular weight of 268.36 g/mol, XLogP of 3.47, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-dimethylphenyl)methoxy]-4-methylbenzenecarboximidamide is sourced from PubChem (CID 107657148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).