2-[4-(aminomethyl)-N-ethyl-2-methylanilino]acetamide

C12H19N3O — CID 103103281

IUPAC2-[4-(aminomethyl)-N-ethyl-2-methylanilino]acetamide
SMILESCCN(CC(N)=O)c1ccc(CN)cc1C
InChIInChI=1S/C12H19N3O/c1-3-15(8-12(14)16)11-5-4-10(7-13)6-9(11)2/h4-6H,3,7-8,13H2,1-2H3,(H2,14,16)
InChIKeyOJAWLYPWZIGJJB-UHFFFAOYSA-N
MW221.30 g/mol
LogP0.77
Rot. Bonds5

About 2-[4-(aminomethyl)-N-ethyl-2-methylanilino]acetamide

2-[4-(aminomethyl)-N-ethyl-2-methylanilino]acetamide (PubChem CID 103103281) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-[4-(aminomethyl)-N-ethyl-2-methylanilino]acetamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)-N-ethyl-2-methylanilino]acetamide
PubChem CID103103281
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name2-[4-(aminomethyl)-N-ethyl-2-methylanilino]acetamide
SMILESCCN(CC(N)=O)c1ccc(CN)cc1C
InChIInChI=1S/C12H19N3O/c1-3-15(8-12(14)16)11-5-4-10(7-13)6-9(11)2/h4-6H,3,7-8,13H2,1-2H3,(H2,14,16)
InChIKeyOJAWLYPWZIGJJB-UHFFFAOYSA-N
XLogP0.77
TPSA72.35 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 ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(aminomethyl)-N,2-dimethylanilino]acetamide
CID 60930505
2-[4-(aminomethyl)-N-ethylanilino]acetamide
CID 43275827
2-[[5-(aminomethyl)-2-pyridinyl]-ethylamino]acetamide
CID 103101253
2-[N-ethyl-2-methyl-4-(methylaminomethyl)anilino]-N,N-dimethylacetamide
CID 62120856
2-[4-[(cyclopropylamino)methyl]-2-methyl-N-(2-methylpropyl)anilino]acetamide
CID 62124929
2-[4-(aminomethyl)-2-chloro-N-methylanilino]acetamide
CID 63088172
2-(4-amino-N-butyl-2-methylanilino)acetamide
CID 55002760
2-[4-[(tert-butylamino)methyl]-N-ethyl-2-methylanilino]-N-methylacetamide
CID 62120854
4-(aminomethyl)-N-ethyl-2-methyl-N-(2-methylphenyl)aniline
CID 60929448
4-(aminomethyl)-N-butan-2-yl-N-ethyl-2-methylaniline
CID 60930401
2-[N-ethyl-2-methyl-4-(propylaminomethyl)anilino]-N,N-dimethylacetamide
CID 62120859
ethyl 2-(4-cyano-N-ethyl-2-methylanilino)acetate
CID 55031101

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)-N-ethyl-2-methylanilino]acetamide?
The IUPAC name of 2-[4-(aminomethyl)-N-ethyl-2-methylanilino]acetamide (CID 103103281) is 2-[4-(aminomethyl)-N-ethyl-2-methylanilino]acetamide.
What is the SMILES notation for 2-[4-(aminomethyl)-N-ethyl-2-methylanilino]acetamide?
The canonical SMILES for 2-[4-(aminomethyl)-N-ethyl-2-methylanilino]acetamide is CCN(CC(N)=O)c1ccc(CN)cc1C.
What is the InChIKey of 2-[4-(aminomethyl)-N-ethyl-2-methylanilino]acetamide?
The InChIKey is OJAWLYPWZIGJJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-3-15(8-12(14)16)11-5-4-10(7-13)6-9(11)2/h4-6H,3,7-8,13H2,1-2H3,(H2,14,16).
What are the key properties of 2-[4-(aminomethyl)-N-ethyl-2-methylanilino]acetamide?
2-[4-(aminomethyl)-N-ethyl-2-methylanilino]acetamide has a molecular weight of 221.30 g/mol, XLogP of 0.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)-N-ethyl-2-methylanilino]acetamide is sourced from PubChem (CID 103103281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).