4-[(3-methoxy-N-methylanilino)methyl]-3-methylbenzenecarboximidamide

C17H21N3O — CID 114483506

IUPAC4-[(3-methoxy-N-methylanilino)methyl]-3-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(CN(C)c2cccc(OC)c2)c(C)c1
InChIInChI=1S/C17H21N3O/c1-12-9-13(17(18)19)7-8-14(12)11-20(2)15-5-4-6-16(10-15)21-3/h4-10H,11H2,1-3H3,(H3,18,19)
InChIKeyDNENXGBFYXYQMY-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.92
Rot. Bonds5

About 4-[(3-methoxy-N-methylanilino)methyl]-3-methylbenzenecarboximidamide

4-[(3-methoxy-N-methylanilino)methyl]-3-methylbenzenecarboximidamide (PubChem CID 114483506) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 4-[(3-methoxy-N-methylanilino)methyl]-3-methylbenzenecarboximidamide.

Molecular Properties

Compound Name4-[(3-methoxy-N-methylanilino)methyl]-3-methylbenzenecarboximidamide
PubChem CID114483506
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name4-[(3-methoxy-N-methylanilino)methyl]-3-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(CN(C)c2cccc(OC)c2)c(C)c1
InChIInChI=1S/C17H21N3O/c1-12-9-13(17(18)19)7-8-14(12)11-20(2)15-5-4-6-16(10-15)21-3/h4-10H,11H2,1-3H3,(H3,18,19)
InChIKeyDNENXGBFYXYQMY-UHFFFAOYSA-N
XLogP2.92
TPSA62.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.92
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-[(N,4-dimethylanilino)methyl]-3-methylbenzenecarboximidamide
CID 114483514
4-[(2-methoxy-N-methylanilino)methyl]-3-methylbenzenecarboximidamide
CID 114483505
4-[(4-ethyl-N-methylanilino)methyl]-3-methylbenzenecarboximidamide
CID 114483508
3-chloro-4-[(4-methoxy-N-methylanilino)methyl]benzenecarboximidamide
CID 102667882
4-[[2-methoxyethyl(methyl)amino]methyl]-3-methylbenzenecarboximidamide
CID 114483433
3-[(2,4-difluorophenyl)methyl-methylamino]benzenecarboximidamide
CID 62970652
3-[(3,5-dimethylphenyl)methyl-methylamino]benzenecarboximidamide
CID 62971701
4-[(4-methoxyphenyl)methoxymethyl]-3-methylbenzenecarboximidamide
CID 114483735
4-[(2-methoxy-5-methylphenyl)methyl-methylamino]benzenecarboximidamide
CID 62970325
3-methyl-4-[[methyl-[(6-methyl-2-pyridinyl)methyl]amino]methyl]benzenecarboximidamide
CID 114483605
4-[[3-hydroxypropyl(methyl)amino]methyl]-3-methylbenzenecarboximidamide
CID 114230260
4-[(4-methoxyphenyl)methyl-methylamino]-2-methylbenzenecarboximidamide
CID 81270232

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methoxy-N-methylanilino)methyl]-3-methylbenzenecarboximidamide?
The IUPAC name of 4-[(3-methoxy-N-methylanilino)methyl]-3-methylbenzenecarboximidamide (CID 114483506) is 4-[(3-methoxy-N-methylanilino)methyl]-3-methylbenzenecarboximidamide.
What is the SMILES notation for 4-[(3-methoxy-N-methylanilino)methyl]-3-methylbenzenecarboximidamide?
The canonical SMILES for 4-[(3-methoxy-N-methylanilino)methyl]-3-methylbenzenecarboximidamide is [H]/N=C(\N)c1ccc(CN(C)c2cccc(OC)c2)c(C)c1.
What is the InChIKey of 4-[(3-methoxy-N-methylanilino)methyl]-3-methylbenzenecarboximidamide?
The InChIKey is DNENXGBFYXYQMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-12-9-13(17(18)19)7-8-14(12)11-20(2)15-5-4-6-16(10-15)21-3/h4-10H,11H2,1-3H3,(H3,18,19).
What are the key properties of 4-[(3-methoxy-N-methylanilino)methyl]-3-methylbenzenecarboximidamide?
4-[(3-methoxy-N-methylanilino)methyl]-3-methylbenzenecarboximidamide has a molecular weight of 283.38 g/mol, XLogP of 2.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methoxy-N-methylanilino)methyl]-3-methylbenzenecarboximidamide is sourced from PubChem (CID 114483506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).