4-[(2-methoxy-5-methylphenyl)methyl-methylamino]benzenecarboximidamide

C17H21N3O — CID 62970325

IUPAC4-[(2-methoxy-5-methylphenyl)methyl-methylamino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N(C)Cc2cc(C)ccc2OC)cc1
InChIInChI=1S/C17H21N3O/c1-12-4-9-16(21-3)14(10-12)11-20(2)15-7-5-13(6-8-15)17(18)19/h4-10H,11H2,1-3H3,(H3,18,19)
InChIKeyWYCJJNQNMVXVJB-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.92
Rot. Bonds5

About 4-[(2-methoxy-5-methylphenyl)methyl-methylamino]benzenecarboximidamide

4-[(2-methoxy-5-methylphenyl)methyl-methylamino]benzenecarboximidamide (PubChem CID 62970325) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 4-[(2-methoxy-5-methylphenyl)methyl-methylamino]benzenecarboximidamide.

Molecular Properties

Compound Name4-[(2-methoxy-5-methylphenyl)methyl-methylamino]benzenecarboximidamide
PubChem CID62970325
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name4-[(2-methoxy-5-methylphenyl)methyl-methylamino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N(C)Cc2cc(C)ccc2OC)cc1
InChIInChI=1S/C17H21N3O/c1-12-4-9-16(21-3)14(10-12)11-20(2)15-7-5-13(6-8-15)17(18)19/h4-10H,11H2,1-3H3,(H3,18,19)
InChIKeyWYCJJNQNMVXVJB-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-[(4-methoxyphenyl)methyl-methylamino]benzenecarboximidamide
CID 61417684
3-chloro-4-[(4-methoxy-N-methylanilino)methyl]benzenecarboximidamide
CID 102667882
3-fluoro-4-[(2-methoxy-5-methylphenyl)methoxy]benzenecarboximidamide
CID 107666516
4-[(2,5-dichlorophenyl)methyl-methylamino]benzenecarboximidamide
CID 65317772
2-[(2-methoxyphenyl)methyl-methylamino]-4-methylbenzenecarboximidamide
CID 62308476
5-[(4-fluoro-N-methylanilino)methyl]-2-methoxybenzenecarboximidamide
CID 65339992
4-[(2-methoxy-N-methylanilino)methyl]-3-methylbenzenecarboximidamide
CID 114483505
N-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-N,4-dimethylaniline
CID 62018742
4-[(4-ethyl-N-methylanilino)methyl]-3-methylbenzenecarboximidamide
CID 114483508
4-[(3-methoxy-N-methylanilino)methyl]-3-methylbenzenecarboximidamide
CID 114483506
4-[benzyl(methyl)amino]benzenecarboximidamide;hydrochloride
CID 82240686

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methoxy-5-methylphenyl)methyl-methylamino]benzenecarboximidamide?
The IUPAC name of 4-[(2-methoxy-5-methylphenyl)methyl-methylamino]benzenecarboximidamide (CID 62970325) is 4-[(2-methoxy-5-methylphenyl)methyl-methylamino]benzenecarboximidamide.
What is the SMILES notation for 4-[(2-methoxy-5-methylphenyl)methyl-methylamino]benzenecarboximidamide?
The canonical SMILES for 4-[(2-methoxy-5-methylphenyl)methyl-methylamino]benzenecarboximidamide is [H]/N=C(\N)c1ccc(N(C)Cc2cc(C)ccc2OC)cc1.
What is the InChIKey of 4-[(2-methoxy-5-methylphenyl)methyl-methylamino]benzenecarboximidamide?
The InChIKey is WYCJJNQNMVXVJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-12-4-9-16(21-3)14(10-12)11-20(2)15-7-5-13(6-8-15)17(18)19/h4-10H,11H2,1-3H3,(H3,18,19).
What are the key properties of 4-[(2-methoxy-5-methylphenyl)methyl-methylamino]benzenecarboximidamide?
4-[(2-methoxy-5-methylphenyl)methyl-methylamino]benzenecarboximidamide 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-[(2-methoxy-5-methylphenyl)methyl-methylamino]benzenecarboximidamide is sourced from PubChem (CID 62970325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).