2-[(2-aminophenyl)methyl-methylamino]-N-ethylacetamide

C12H19N3O — CID 43458547

IUPAC2-[(2-aminophenyl)methyl-methylamino]-N-ethylacetamide
SMILESCCNC(=O)CN(C)Cc1ccccc1N
InChIInChI=1S/C12H19N3O/c1-3-14-12(16)9-15(2)8-10-6-4-5-7-11(10)13/h4-7H,3,8-9,13H2,1-2H3,(H,14,16)
InChIKeyWTFWOLNDUXRQPH-UHFFFAOYSA-N
MW221.30 g/mol
LogP0.84
Rot. Bonds5

About 2-[(2-aminophenyl)methyl-methylamino]-N-ethylacetamide

2-[(2-aminophenyl)methyl-methylamino]-N-ethylacetamide (PubChem CID 43458547) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-[(2-aminophenyl)methyl-methylamino]-N-ethylacetamide.

Molecular Properties

Compound Name2-[(2-aminophenyl)methyl-methylamino]-N-ethylacetamide
PubChem CID43458547
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name2-[(2-aminophenyl)methyl-methylamino]-N-ethylacetamide
SMILESCCNC(=O)CN(C)Cc1ccccc1N
InChIInChI=1S/C12H19N3O/c1-3-14-12(16)9-15(2)8-10-6-4-5-7-11(10)13/h4-7H,3,8-9,13H2,1-2H3,(H,14,16)
InChIKeyWTFWOLNDUXRQPH-UHFFFAOYSA-N
XLogP0.84
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-aminophenyl)methyl-methylamino]-N-methylacetamide
CID 43374465
2-[(2-aminophenyl)methyl-methylamino]-N-(3-methylbutyl)acetamide
CID 61486734
N-ethyl-2-[(2-fluorophenyl)methyl-methylamino]acetamide
CID 78791355
2-[(2-amino-5-chlorophenyl)methyl-methylamino]-N-ethylacetamide
CID 79582319
2-[(2-aminophenyl)methyl-methylamino]-N-pentan-2-ylacetamide
CID 61490250
2-[(2-aminophenyl)methyl-cyclopropylamino]-N-ethylacetamide
CID 43384134
N-ethyl-2-[(3-fluoro-2-hydroxyphenyl)methyl-methylamino]acetamide
CID 112616212
2-[[2-(2-aminophenyl)-2-hydroxyethyl]-methylamino]-N-ethylacetamide
CID 62265975
2-[(2-aminophenyl)methyl-methylamino]-N-(3-chlorophenyl)acetamide
CID 43458599
methyl 2-amino-6-[[methyl-[2-oxo-2-(propylamino)ethyl]amino]methyl]benzoate
CID 104824482
2-[(2-aminophenyl)methyl-methylamino]-N-(3-bromophenyl)acetamide
CID 43458595
2-[methyl-[(2-methylphenyl)methyl]amino]-N-propylacetamide
CID 47006716

Frequently Asked Questions

What is the IUPAC name of 2-[(2-aminophenyl)methyl-methylamino]-N-ethylacetamide?
The IUPAC name of 2-[(2-aminophenyl)methyl-methylamino]-N-ethylacetamide (CID 43458547) is 2-[(2-aminophenyl)methyl-methylamino]-N-ethylacetamide.
What is the SMILES notation for 2-[(2-aminophenyl)methyl-methylamino]-N-ethylacetamide?
The canonical SMILES for 2-[(2-aminophenyl)methyl-methylamino]-N-ethylacetamide is CCNC(=O)CN(C)Cc1ccccc1N.
What is the InChIKey of 2-[(2-aminophenyl)methyl-methylamino]-N-ethylacetamide?
The InChIKey is WTFWOLNDUXRQPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-3-14-12(16)9-15(2)8-10-6-4-5-7-11(10)13/h4-7H,3,8-9,13H2,1-2H3,(H,14,16).
What are the key properties of 2-[(2-aminophenyl)methyl-methylamino]-N-ethylacetamide?
2-[(2-aminophenyl)methyl-methylamino]-N-ethylacetamide has a molecular weight of 221.30 g/mol, XLogP of 0.84, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-aminophenyl)methyl-methylamino]-N-ethylacetamide is sourced from PubChem (CID 43458547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).