2-[4-chloro-2-[(2-methoxyethylamino)methyl]-N-methylanilino]acetamide

C13H20ClN3O2 — CID 114848156

IUPAC2-[4-chloro-2-[(2-methoxyethylamino)methyl]-N-methylanilino]acetamide
SMILESCOCCNCc1cc(Cl)ccc1N(C)CC(N)=O
InChIInChI=1S/C13H20ClN3O2/c1-17(9-13(15)18)12-4-3-11(14)7-10(12)8-16-5-6-19-2/h3-4,7,16H,5-6,8-9H2,1-2H3,(H2,15,18)
InChIKeyLPSCBDZTVXWTGR-UHFFFAOYSA-N
MW285.78 g/mol
LogP1.00
Rot. Bonds8

About 2-[4-chloro-2-[(2-methoxyethylamino)methyl]-N-methylanilino]acetamide

2-[4-chloro-2-[(2-methoxyethylamino)methyl]-N-methylanilino]acetamide (PubChem CID 114848156) has the molecular formula C13H20ClN3O2 and a molecular weight of 285.78 g/mol. Its IUPAC name is 2-[4-chloro-2-[(2-methoxyethylamino)methyl]-N-methylanilino]acetamide.

Molecular Properties

Compound Name2-[4-chloro-2-[(2-methoxyethylamino)methyl]-N-methylanilino]acetamide
PubChem CID114848156
Molecular FormulaC13H20ClN3O2
Molecular Weight285.78 g/mol
Exact Mass285.12
IUPAC Name2-[4-chloro-2-[(2-methoxyethylamino)methyl]-N-methylanilino]acetamide
SMILESCOCCNCc1cc(Cl)ccc1N(C)CC(N)=O
InChIInChI=1S/C13H20ClN3O2/c1-17(9-13(15)18)12-4-3-11(14)7-10(12)8-16-5-6-19-2/h3-4,7,16H,5-6,8-9H2,1-2H3,(H2,15,18)
InChIKeyLPSCBDZTVXWTGR-UHFFFAOYSA-N
XLogP1.00
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
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

4-chloro-N-(2,2-dimethylpropyl)-2-[(2-methoxyethylamino)methyl]-N-methylaniline
CID 114850376
N-butyl-4-chloro-2-[(2-methoxyethylamino)methyl]-N-methylaniline
CID 114847405
4-chloro-N-(2-ethoxyethyl)-2-[(2-methoxyethylamino)methyl]-N-methylaniline
CID 114852817
2-[2-(aminomethyl)-4-chloro-N-methylanilino]acetamide
CID 62495000
2-[4-chloro-N-methyl-2-(propylaminomethyl)anilino]-N,N-dimethylacetamide
CID 114848185
methyl 2-[4-chloro-2-[(2-methoxyethylamino)methyl]phenoxy]acetate
CID 63058240
4-chloro-N-(2-methoxyethyl)-2-[(2-methoxyethylamino)methyl]-N-propan-2-ylaniline
CID 114853037
2-[4-fluoro-2-[(2-methoxyethylamino)methyl]-N-propan-2-ylanilino]acetamide
CID 63071874
1-[5-chloro-2-[(2-methoxyethylamino)methyl]-N-methylanilino]propan-2-ol
CID 114850641
N-[(2-bromo-5-chlorophenyl)methyl]-2-methoxyethanamine
CID 66161623
5-chloro-2-[(2-methoxyethylamino)methyl]-N-methyl-N-(2,2,2-trifluoroethyl)aniline
CID 114848617
2-[4-chloro-2-(ethylaminomethyl)-N-methylanilino]-N-propan-2-ylacetamide
CID 114850041

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-2-[(2-methoxyethylamino)methyl]-N-methylanilino]acetamide?
The IUPAC name of 2-[4-chloro-2-[(2-methoxyethylamino)methyl]-N-methylanilino]acetamide (CID 114848156) is 2-[4-chloro-2-[(2-methoxyethylamino)methyl]-N-methylanilino]acetamide.
What is the SMILES notation for 2-[4-chloro-2-[(2-methoxyethylamino)methyl]-N-methylanilino]acetamide?
The canonical SMILES for 2-[4-chloro-2-[(2-methoxyethylamino)methyl]-N-methylanilino]acetamide is COCCNCc1cc(Cl)ccc1N(C)CC(N)=O.
What is the InChIKey of 2-[4-chloro-2-[(2-methoxyethylamino)methyl]-N-methylanilino]acetamide?
The InChIKey is LPSCBDZTVXWTGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O2/c1-17(9-13(15)18)12-4-3-11(14)7-10(12)8-16-5-6-19-2/h3-4,7,16H,5-6,8-9H2,1-2H3,(H2,15,18).
What are the key properties of 2-[4-chloro-2-[(2-methoxyethylamino)methyl]-N-methylanilino]acetamide?
2-[4-chloro-2-[(2-methoxyethylamino)methyl]-N-methylanilino]acetamide has a molecular weight of 285.78 g/mol, XLogP of 1.00, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-2-[(2-methoxyethylamino)methyl]-N-methylanilino]acetamide is sourced from PubChem (CID 114848156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).