2-[4-(aminomethyl)-N-ethyl-3-methylanilino]-N-methylacetamide

C13H21N3O — CID 62136249

IUPAC2-[4-(aminomethyl)-N-ethyl-3-methylanilino]-N-methylacetamide
SMILESCCN(CC(=O)NC)c1ccc(CN)c(C)c1
InChIInChI=1S/C13H21N3O/c1-4-16(9-13(17)15-3)12-6-5-11(8-14)10(2)7-12/h5-7H,4,8-9,14H2,1-3H3,(H,15,17)
InChIKeyIAXMDNSFFSXDTO-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.03
Rot. Bonds5

About 2-[4-(aminomethyl)-N-ethyl-3-methylanilino]-N-methylacetamide

2-[4-(aminomethyl)-N-ethyl-3-methylanilino]-N-methylacetamide (PubChem CID 62136249) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-[4-(aminomethyl)-N-ethyl-3-methylanilino]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)-N-ethyl-3-methylanilino]-N-methylacetamide
PubChem CID62136249
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name2-[4-(aminomethyl)-N-ethyl-3-methylanilino]-N-methylacetamide
SMILESCCN(CC(=O)NC)c1ccc(CN)c(C)c1
InChIInChI=1S/C13H21N3O/c1-4-16(9-13(17)15-3)12-6-5-11(8-14)10(2)7-12/h5-7H,4,8-9,14H2,1-3H3,(H,15,17)
InChIKeyIAXMDNSFFSXDTO-UHFFFAOYSA-N
XLogP1.03
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

2-(4-amino-N-ethylanilino)-N-methylacetamide
CID 43577916
N-methyl-2-[3-methyl-N-propyl-4-(propylaminomethyl)anilino]acetamide
CID 62128436
2-[4-(aminomethyl)-N-ethyl-3-fluoroanilino]-N-propan-2-ylacetamide
CID 115366775
2-[4-(aminomethyl)-N-(2-hydroxyethyl)-3-methylanilino]ethanol
CID 81273324
2-[2-(aminomethyl)-N-ethyl-4-(trifluoromethyl)anilino]-N-methylacetamide
CID 43572623
2-(4-amino-N-ethyl-3-methylanilino)acetamide
CID 54103671
2-[N-(2-amino-2-oxoethyl)-3-methyl-4-(methylaminomethyl)anilino]acetamide
CID 62923686
2-[N-ethyl-3-(trifluoromethyl)anilino]-N-methylacetamide
CID 167921207
2-[4-(aminomethyl)-3-methyl-N-propan-2-ylanilino]acetamide
CID 62130970
2-[N-(3-aminopropyl)-4-fluoroanilino]-N-methylacetamide
CID 43136261
2-[(2-chloro-4-pyridinyl)-ethylamino]-N-methylacetamide
CID 102824068
2-amino-3-[4-(diethylamino)-2-methylphenyl]propanoic acid
CID 170880204

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)-N-ethyl-3-methylanilino]-N-methylacetamide?
The IUPAC name of 2-[4-(aminomethyl)-N-ethyl-3-methylanilino]-N-methylacetamide (CID 62136249) is 2-[4-(aminomethyl)-N-ethyl-3-methylanilino]-N-methylacetamide.
What is the SMILES notation for 2-[4-(aminomethyl)-N-ethyl-3-methylanilino]-N-methylacetamide?
The canonical SMILES for 2-[4-(aminomethyl)-N-ethyl-3-methylanilino]-N-methylacetamide is CCN(CC(=O)NC)c1ccc(CN)c(C)c1.
What is the InChIKey of 2-[4-(aminomethyl)-N-ethyl-3-methylanilino]-N-methylacetamide?
The InChIKey is IAXMDNSFFSXDTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-4-16(9-13(17)15-3)12-6-5-11(8-14)10(2)7-12/h5-7H,4,8-9,14H2,1-3H3,(H,15,17).
What are the key properties of 2-[4-(aminomethyl)-N-ethyl-3-methylanilino]-N-methylacetamide?
2-[4-(aminomethyl)-N-ethyl-3-methylanilino]-N-methylacetamide has a molecular weight of 235.33 g/mol, XLogP of 1.03, 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-3-methylanilino]-N-methylacetamide is sourced from PubChem (CID 62136249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).