2-[2-(aminomethyl)-3-chloro-N-methylanilino]-N-(2-methoxyethyl)acetamide

C13H20ClN3O2 — CID 55135596

IUPAC2-[2-(aminomethyl)-3-chloro-N-methylanilino]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CN(C)c1cccc(Cl)c1CN
InChIInChI=1S/C13H20ClN3O2/c1-17(9-13(18)16-6-7-19-2)12-5-3-4-11(14)10(12)8-15/h3-5H,6-9,15H2,1-2H3,(H,16,18)
InChIKeyPTKLBLUDFSDQNC-UHFFFAOYSA-N
MW285.78 g/mol
LogP1.00
Rot. Bonds7

About 2-[2-(aminomethyl)-3-chloro-N-methylanilino]-N-(2-methoxyethyl)acetamide

2-[2-(aminomethyl)-3-chloro-N-methylanilino]-N-(2-methoxyethyl)acetamide (PubChem CID 55135596) has the molecular formula C13H20ClN3O2 and a molecular weight of 285.78 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-3-chloro-N-methylanilino]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)-3-chloro-N-methylanilino]-N-(2-methoxyethyl)acetamide
PubChem CID55135596
Molecular FormulaC13H20ClN3O2
Molecular Weight285.78 g/mol
Exact Mass285.12
IUPAC Name2-[2-(aminomethyl)-3-chloro-N-methylanilino]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CN(C)c1cccc(Cl)c1CN
InChIInChI=1S/C13H20ClN3O2/c1-17(9-13(18)16-6-7-19-2)12-5-3-4-11(14)10(12)8-15/h3-5H,6-9,15H2,1-2H3,(H,16,18)
InChIKeyPTKLBLUDFSDQNC-UHFFFAOYSA-N
XLogP1.00
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.78
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2,3-dichloro-N-methylsulfonylanilino)-N-(2-methoxyethyl)acetamide
CID 46919892
2-[N-(benzenesulfonyl)-2-chloroanilino]-N-(2-methoxyethyl)acetamide
CID 3139242
2-(2-chloro-N-methyl-4-nitroanilino)-N-(2-methoxyethyl)acetamide
CID 24508374
3-amino-2-[[2-(2-methoxyethylamino)-2-oxoethyl]-methylamino]benzoic acid
CID 115934570
3-[3-chloro-2-[(2-methoxyethylamino)methyl]-N-methylanilino]-N-methylpropanamide
CID 106916724
2-[(3-amino-6-methyl-2-pyridinyl)-methylamino]-N-(2-methoxyethyl)acetamide
CID 81132098
2-[(6-carbamothioyl-2-pyridinyl)-methylamino]-N-(2-methoxyethyl)acetamide
CID 64587464
2-[3-chloro-2-[(2-methoxyethylamino)methyl]-N-methylanilino]ethanol
CID 63059522
N-(2-methoxyethyl)-2-(2,4,5-trichloro-N-methylsulfonylanilino)acetamide
CID 3464588
2-[(4,6-dichloro-1,3,5-triazin-2-yl)-methylamino]-N-(2-methoxyethyl)acetamide
CID 55023792
3-(2,6-dichloroanilino)-N-(2-methoxyethyl)propanamide
CID 109015134
2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-(2-phenoxyethyl)acetamide
CID 18087939

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)-3-chloro-N-methylanilino]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[2-(aminomethyl)-3-chloro-N-methylanilino]-N-(2-methoxyethyl)acetamide (CID 55135596) is 2-[2-(aminomethyl)-3-chloro-N-methylanilino]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[2-(aminomethyl)-3-chloro-N-methylanilino]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[2-(aminomethyl)-3-chloro-N-methylanilino]-N-(2-methoxyethyl)acetamide is COCCNC(=O)CN(C)c1cccc(Cl)c1CN.
What is the InChIKey of 2-[2-(aminomethyl)-3-chloro-N-methylanilino]-N-(2-methoxyethyl)acetamide?
The InChIKey is PTKLBLUDFSDQNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O2/c1-17(9-13(18)16-6-7-19-2)12-5-3-4-11(14)10(12)8-15/h3-5H,6-9,15H2,1-2H3,(H,16,18).
What are the key properties of 2-[2-(aminomethyl)-3-chloro-N-methylanilino]-N-(2-methoxyethyl)acetamide?
2-[2-(aminomethyl)-3-chloro-N-methylanilino]-N-(2-methoxyethyl)acetamide has a molecular weight of 285.78 g/mol, XLogP of 1.00, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)-3-chloro-N-methylanilino]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 55135596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).