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

C17H21N3O — CID 62308476

IUPAC2-[(2-methoxyphenyl)methyl-methylamino]-4-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(C)cc1N(C)Cc1ccccc1OC
InChIInChI=1S/C17H21N3O/c1-12-8-9-14(17(18)19)15(10-12)20(2)11-13-6-4-5-7-16(13)21-3/h4-10H,11H2,1-3H3,(H3,18,19)
InChIKeyDUKDMNHTSMMLOF-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.92
Rot. Bonds5

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

2-[(2-methoxyphenyl)methyl-methylamino]-4-methylbenzenecarboximidamide (PubChem CID 62308476) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 2-[(2-methoxyphenyl)methyl-methylamino]-4-methylbenzenecarboximidamide.

Molecular Properties

Compound Name2-[(2-methoxyphenyl)methyl-methylamino]-4-methylbenzenecarboximidamide
PubChem CID62308476
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name2-[(2-methoxyphenyl)methyl-methylamino]-4-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(C)cc1N(C)Cc1ccccc1OC
InChIInChI=1S/C17H21N3O/c1-12-8-9-14(17(18)19)15(10-12)20(2)11-13-6-4-5-7-16(13)21-3/h4-10H,11H2,1-3H3,(H3,18,19)
InChIKeyDUKDMNHTSMMLOF-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-chloro-2-[(2-methoxyphenyl)methyl-methylamino]benzenecarboximidamide
CID 63094373
4-[(2-methoxy-N-methylanilino)methyl]-3-methylbenzenecarboximidamide
CID 114483505
4-[(2-methoxy-5-methylphenyl)methyl-methylamino]benzenecarboximidamide
CID 62970325
2-methoxy-4-methylbenzenecarboximidamide
CID 62306767
2-[(2-hydroxy-3-methoxypropyl)-methylamino]-4-methylbenzenecarboximidamide
CID 55056725
2-[benzyl(propan-2-yl)amino]-4-methylbenzenecarboximidamide
CID 62307762
5-chloro-2-[(2-methoxyphenyl)methyl-methylamino]benzenecarbothioamide
CID 62493688
2-[bis(2-hydroxyethyl)amino]-4-methylbenzenecarboximidamide
CID 62308815
2-[1-hydroxypropan-2-yl(methyl)amino]-4-methylbenzenecarboximidamide
CID 104552211
ethyl 4-[[3-[[4-(C-ethoxycarbonimidoyl)-2-methoxyphenyl]methyl-methylamino]-2-fluoro-N-methylanilino]methyl]-3-methoxybenzenecarboximidate
CID 162469257
4-methyl-2-[methyl(oxolan-2-ylmethyl)amino]benzenecarboximidamide
CID 55057250
2-[(2-chlorophenyl)methyl-methylamino]-5-fluorobenzenecarboximidamide
CID 63673253

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxyphenyl)methyl-methylamino]-4-methylbenzenecarboximidamide?
The IUPAC name of 2-[(2-methoxyphenyl)methyl-methylamino]-4-methylbenzenecarboximidamide (CID 62308476) is 2-[(2-methoxyphenyl)methyl-methylamino]-4-methylbenzenecarboximidamide.
What is the SMILES notation for 2-[(2-methoxyphenyl)methyl-methylamino]-4-methylbenzenecarboximidamide?
The canonical SMILES for 2-[(2-methoxyphenyl)methyl-methylamino]-4-methylbenzenecarboximidamide is [H]/N=C(\N)c1ccc(C)cc1N(C)Cc1ccccc1OC.
What is the InChIKey of 2-[(2-methoxyphenyl)methyl-methylamino]-4-methylbenzenecarboximidamide?
The InChIKey is DUKDMNHTSMMLOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-12-8-9-14(17(18)19)15(10-12)20(2)11-13-6-4-5-7-16(13)21-3/h4-10H,11H2,1-3H3,(H3,18,19).
What are the key properties of 2-[(2-methoxyphenyl)methyl-methylamino]-4-methylbenzenecarboximidamide?
2-[(2-methoxyphenyl)methyl-methylamino]-4-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 2-[(2-methoxyphenyl)methyl-methylamino]-4-methylbenzenecarboximidamide is sourced from PubChem (CID 62308476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).