4-(2-aminoethoxymethyl)-3-methylbenzamide

C11H16N2O2 — CID 114484486

IUPAC4-(2-aminoethoxymethyl)-3-methylbenzamide
SMILESCc1cc(C(N)=O)ccc1COCCN
InChIInChI=1S/C11H16N2O2/c1-8-6-9(11(13)14)2-3-10(8)7-15-5-4-12/h2-3,6H,4-5,7,12H2,1H3,(H2,13,14)
InChIKeyAHZCLWYLJGLNKG-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.57
Rot. Bonds5

About 4-(2-aminoethoxymethyl)-3-methylbenzamide

4-(2-aminoethoxymethyl)-3-methylbenzamide (PubChem CID 114484486) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 4-(2-aminoethoxymethyl)-3-methylbenzamide.

Molecular Properties

Compound Name4-(2-aminoethoxymethyl)-3-methylbenzamide
PubChem CID114484486
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name4-(2-aminoethoxymethyl)-3-methylbenzamide
SMILESCc1cc(C(N)=O)ccc1COCCN
InChIInChI=1S/C11H16N2O2/c1-8-6-9(11(13)14)2-3-10(8)7-15-5-4-12/h2-3,6H,4-5,7,12H2,1H3,(H2,13,14)
InChIKeyAHZCLWYLJGLNKG-UHFFFAOYSA-N
XLogP0.57
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[(4-chlorophenoxy)methyl]-3-methylbenzamide
CID 114486227
4-(2-methoxyethoxymethyl)-3-methylbenzenecarbothioamide
CID 114482192
4-[(1-aminocycloheptyl)methoxymethyl]-3-methylbenzamide
CID 114484503
3-methyl-4-[(2-methylphenoxy)methyl]benzamide
CID 114486222
4-(3-aminopropoxymethyl)-3-chlorobenzamide
CID 102668854
4-[[2-aminoethyl(methyl)amino]methyl]-3-methylbenzamide
CID 114484817
3-methyl-4-(propoxymethyl)benzenecarbothioamide
CID 114482242
4-[(2,4-dimethylphenoxy)methyl]-3-methylbenzamide
CID 114486236
N'-hydroxy-3-methyl-4-(propoxymethyl)benzenecarboximidamide
CID 114483267
4-(3-hydroxypropoxymethyl)-3-methylbenzoic acid
CID 114485742
4-[(dimethylamino)methyl]-3-methylbenzamide
CID 130557552
4-[(4-bromo-3-fluorophenoxy)methyl]-3-methylbenzamide
CID 114482373

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethoxymethyl)-3-methylbenzamide?
The IUPAC name of 4-(2-aminoethoxymethyl)-3-methylbenzamide (CID 114484486) is 4-(2-aminoethoxymethyl)-3-methylbenzamide.
What is the SMILES notation for 4-(2-aminoethoxymethyl)-3-methylbenzamide?
The canonical SMILES for 4-(2-aminoethoxymethyl)-3-methylbenzamide is Cc1cc(C(N)=O)ccc1COCCN.
What is the InChIKey of 4-(2-aminoethoxymethyl)-3-methylbenzamide?
The InChIKey is AHZCLWYLJGLNKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-8-6-9(11(13)14)2-3-10(8)7-15-5-4-12/h2-3,6H,4-5,7,12H2,1H3,(H2,13,14).
What are the key properties of 4-(2-aminoethoxymethyl)-3-methylbenzamide?
4-(2-aminoethoxymethyl)-3-methylbenzamide has a molecular weight of 208.26 g/mol, XLogP of 0.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethoxymethyl)-3-methylbenzamide is sourced from PubChem (CID 114484486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).