4-[3-(dimethylamino)phenoxy]-2-methylbenzenecarboximidamide

C16H19N3O — CID 81276721

IUPAC4-[3-(dimethylamino)phenoxy]-2-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Oc2cccc(N(C)C)c2)cc1C
InChIInChI=1S/C16H19N3O/c1-11-9-14(7-8-15(11)16(17)18)20-13-6-4-5-12(10-13)19(2)3/h4-10H,1-3H3,(H3,17,18)
InChIKeyOBMSAXKGUXYAIK-UHFFFAOYSA-N
MW269.35 g/mol
LogP3.14
Rot. Bonds4

About 4-[3-(dimethylamino)phenoxy]-2-methylbenzenecarboximidamide

4-[3-(dimethylamino)phenoxy]-2-methylbenzenecarboximidamide (PubChem CID 81276721) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 4-[3-(dimethylamino)phenoxy]-2-methylbenzenecarboximidamide.

Molecular Properties

Compound Name4-[3-(dimethylamino)phenoxy]-2-methylbenzenecarboximidamide
PubChem CID81276721
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name4-[3-(dimethylamino)phenoxy]-2-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Oc2cccc(N(C)C)c2)cc1C
InChIInChI=1S/C16H19N3O/c1-11-9-14(7-8-15(11)16(17)18)20-13-6-4-5-12(10-13)19(2)3/h4-10H,1-3H3,(H3,17,18)
InChIKeyOBMSAXKGUXYAIK-UHFFFAOYSA-N
XLogP3.14
TPSA62.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 53.14
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-(3,5-dimethylphenoxy)-2-methylbenzenecarboximidamide
CID 81276388
4-(2,6-dimethoxyphenoxy)-2-methylbenzenecarboximidamide
CID 81268609
3-[3-(dimethylamino)phenoxy]-5,6-dimethylpyridazine-4-carboximidamide
CID 61229676
2-methyl-4-(4-propylphenoxy)benzenecarboximidamide
CID 81276494
4-[3-(dimethylamino)phenoxy]-2,6-dimethylpyridine-3-carboximidamide
CID 81036917
4-(2-methoxyethoxy)-2-methylbenzenecarboximidamide
CID 81276554
N,N-dimethyl-3-[3-methyl-4-(methylaminomethyl)phenoxy]aniline
CID 62128804
2-bromo-4-(4-bromo-3,5-dimethylphenoxy)benzenecarboximidamide
CID 107724642
4-(2,4-dibromophenoxy)-2-methylbenzenecarboximidamide
CID 81276266
2-methyl-4-(5-methyl-2-propan-2-ylphenoxy)benzenecarboximidamide
CID 81269066
4-(4-bromo-3-methylphenoxy)-2-chlorobenzenecarboximidamide
CID 83140790
2-bromo-4-(4-chloro-3-methylphenoxy)benzenecarboximidamide
CID 107279532

Frequently Asked Questions

What is the IUPAC name of 4-[3-(dimethylamino)phenoxy]-2-methylbenzenecarboximidamide?
The IUPAC name of 4-[3-(dimethylamino)phenoxy]-2-methylbenzenecarboximidamide (CID 81276721) is 4-[3-(dimethylamino)phenoxy]-2-methylbenzenecarboximidamide.
What is the SMILES notation for 4-[3-(dimethylamino)phenoxy]-2-methylbenzenecarboximidamide?
The canonical SMILES for 4-[3-(dimethylamino)phenoxy]-2-methylbenzenecarboximidamide is [H]/N=C(\N)c1ccc(Oc2cccc(N(C)C)c2)cc1C.
What is the InChIKey of 4-[3-(dimethylamino)phenoxy]-2-methylbenzenecarboximidamide?
The InChIKey is OBMSAXKGUXYAIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-11-9-14(7-8-15(11)16(17)18)20-13-6-4-5-12(10-13)19(2)3/h4-10H,1-3H3,(H3,17,18).
What are the key properties of 4-[3-(dimethylamino)phenoxy]-2-methylbenzenecarboximidamide?
4-[3-(dimethylamino)phenoxy]-2-methylbenzenecarboximidamide has a molecular weight of 269.35 g/mol, XLogP of 3.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(dimethylamino)phenoxy]-2-methylbenzenecarboximidamide is sourced from PubChem (CID 81276721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).