4-[(4-methoxyphenyl)methyl-methylamino]-2-methylbenzenecarboximidamide

C17H21N3O — CID 81270232

IUPAC4-[(4-methoxyphenyl)methyl-methylamino]-2-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N(C)Cc2ccc(OC)cc2)cc1C
InChIInChI=1S/C17H21N3O/c1-12-10-14(6-9-16(12)17(18)19)20(2)11-13-4-7-15(21-3)8-5-13/h4-10H,11H2,1-3H3,(H3,18,19)
InChIKeyZTJIGFXNFKZPGU-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.92
Rot. Bonds5

About 4-[(4-methoxyphenyl)methyl-methylamino]-2-methylbenzenecarboximidamide

4-[(4-methoxyphenyl)methyl-methylamino]-2-methylbenzenecarboximidamide (PubChem CID 81270232) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 4-[(4-methoxyphenyl)methyl-methylamino]-2-methylbenzenecarboximidamide.

Molecular Properties

Compound Name4-[(4-methoxyphenyl)methyl-methylamino]-2-methylbenzenecarboximidamide
PubChem CID81270232
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name4-[(4-methoxyphenyl)methyl-methylamino]-2-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N(C)Cc2ccc(OC)cc2)cc1C
InChIInChI=1S/C17H21N3O/c1-12-10-14(6-9-16(12)17(18)19)20(2)11-13-4-7-15(21-3)8-5-13/h4-10H,11H2,1-3H3,(H3,18,19)
InChIKeyZTJIGFXNFKZPGU-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-[(4-methoxyphenyl)methyl-methylamino]benzenecarboximidamide
CID 61417684
4-[3-methoxypropyl(methyl)amino]-2-methylbenzenecarboximidamide
CID 81279372
4-[(2-hydroxy-3-methoxypropyl)-methylamino]-2-methylbenzenecarboximidamide
CID 81279443
2-methyl-4-[methyl(2-phenylethyl)amino]benzenecarboximidamide
CID 81278369
2-methyl-4-[methyl(3,3,3-trifluoropropyl)amino]benzenecarboximidamide
CID 81278791
4-(bromomethyl)-N-[(4-methoxyphenyl)methyl]-N,3-dimethylaniline
CID 107081032
5-[(4-fluoro-N-methylanilino)methyl]-2-methoxybenzenecarboximidamide
CID 65339992
3-chloro-4-[(4-methoxy-N-methylanilino)methyl]benzenecarboximidamide
CID 102667882
6-[(4-methoxyphenyl)methyl-methylamino]pyridine-2-carboximidamide
CID 64596135
4-methoxy-2-[(4-methoxyphenyl)methoxy]benzenecarboximidamide
CID 81300051
2-methyl-4-[methyl(pentan-3-yl)amino]benzenecarboximidamide
CID 81279169
4-[(3-methoxy-N-methylanilino)methyl]-3-methylbenzenecarboximidamide
CID 114483506

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methoxyphenyl)methyl-methylamino]-2-methylbenzenecarboximidamide?
The IUPAC name of 4-[(4-methoxyphenyl)methyl-methylamino]-2-methylbenzenecarboximidamide (CID 81270232) is 4-[(4-methoxyphenyl)methyl-methylamino]-2-methylbenzenecarboximidamide.
What is the SMILES notation for 4-[(4-methoxyphenyl)methyl-methylamino]-2-methylbenzenecarboximidamide?
The canonical SMILES for 4-[(4-methoxyphenyl)methyl-methylamino]-2-methylbenzenecarboximidamide is [H]/N=C(\N)c1ccc(N(C)Cc2ccc(OC)cc2)cc1C.
What is the InChIKey of 4-[(4-methoxyphenyl)methyl-methylamino]-2-methylbenzenecarboximidamide?
The InChIKey is ZTJIGFXNFKZPGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-12-10-14(6-9-16(12)17(18)19)20(2)11-13-4-7-15(21-3)8-5-13/h4-10H,11H2,1-3H3,(H3,18,19).
What are the key properties of 4-[(4-methoxyphenyl)methyl-methylamino]-2-methylbenzenecarboximidamide?
4-[(4-methoxyphenyl)methyl-methylamino]-2-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-[(4-methoxyphenyl)methyl-methylamino]-2-methylbenzenecarboximidamide is sourced from PubChem (CID 81270232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).