2-[2-(2-aminophenyl)ethyl-methylamino]-N-methylacetamide

C12H19N3O — CID 62496408

IUPAC2-[2-(2-aminophenyl)ethyl-methylamino]-N-methylacetamide
SMILESCNC(=O)CN(C)CCc1ccccc1N
InChIInChI=1S/C12H19N3O/c1-14-12(16)9-15(2)8-7-10-5-3-4-6-11(10)13/h3-6H,7-9,13H2,1-2H3,(H,14,16)
InChIKeyUXIXZKTZDASTDZ-UHFFFAOYSA-N
MW221.30 g/mol
LogP0.49
Rot. Bonds5

About 2-[2-(2-aminophenyl)ethyl-methylamino]-N-methylacetamide

2-[2-(2-aminophenyl)ethyl-methylamino]-N-methylacetamide (PubChem CID 62496408) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-[2-(2-aminophenyl)ethyl-methylamino]-N-methylacetamide.

Molecular Properties

Compound Name2-[2-(2-aminophenyl)ethyl-methylamino]-N-methylacetamide
PubChem CID62496408
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name2-[2-(2-aminophenyl)ethyl-methylamino]-N-methylacetamide
SMILESCNC(=O)CN(C)CCc1ccccc1N
InChIInChI=1S/C12H19N3O/c1-14-12(16)9-15(2)8-7-10-5-3-4-6-11(10)13/h3-6H,7-9,13H2,1-2H3,(H,14,16)
InChIKeyUXIXZKTZDASTDZ-UHFFFAOYSA-N
XLogP0.49
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 ≤ 50.49
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-(2-aminophenyl)ethyl-methylamino]-N-(2-methoxyethyl)acetamide
CID 62495396
2-(2-aminophenyl)-N-methylacetamide
CID 16772909
2-[[2-(2-aminoanilino)-2-oxoethyl]-methylamino]-N-methylacetamide
CID 43374525
2-[(2-aminophenyl)methyl-propan-2-ylamino]-N-methylacetamide
CID 43460418
2-[(2-aminophenyl)methyl-methylamino]-N-ethylacetamide
CID 43458547
2-[[2-(2-amino-6-methylanilino)-2-oxoethyl]-methylamino]-N-methylacetamide
CID 43376076
[2-(methylamino)-2-oxoethyl] 2-(2-aminophenyl)acetate
CID 61321081
3-[(2-aminophenyl)methyl-propylamino]-N-methylpropanamide
CID 62324815
2-[3-(2-aminophenyl)propanoylamino]-N,N-dimethylpropanamide
CID 61466661
3-[3-(2-aminophenyl)propanoyl-methylamino]propanoic acid
CID 107273041
N-(4-aminophenyl)-3-[methyl-[2-(methylamino)-2-oxoethyl]amino]propanamide
CID 43374496

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-aminophenyl)ethyl-methylamino]-N-methylacetamide?
The IUPAC name of 2-[2-(2-aminophenyl)ethyl-methylamino]-N-methylacetamide (CID 62496408) is 2-[2-(2-aminophenyl)ethyl-methylamino]-N-methylacetamide.
What is the SMILES notation for 2-[2-(2-aminophenyl)ethyl-methylamino]-N-methylacetamide?
The canonical SMILES for 2-[2-(2-aminophenyl)ethyl-methylamino]-N-methylacetamide is CNC(=O)CN(C)CCc1ccccc1N.
What is the InChIKey of 2-[2-(2-aminophenyl)ethyl-methylamino]-N-methylacetamide?
The InChIKey is UXIXZKTZDASTDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-14-12(16)9-15(2)8-7-10-5-3-4-6-11(10)13/h3-6H,7-9,13H2,1-2H3,(H,14,16).
What are the key properties of 2-[2-(2-aminophenyl)ethyl-methylamino]-N-methylacetamide?
2-[2-(2-aminophenyl)ethyl-methylamino]-N-methylacetamide has a molecular weight of 221.30 g/mol, XLogP of 0.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-aminophenyl)ethyl-methylamino]-N-methylacetamide is sourced from PubChem (CID 62496408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).