2-[1-(2-chlorophenyl)ethyl-methylamino]-N-ethylacetamide

C13H19ClN2O — CID 60505315

IUPAC2-[1-(2-chlorophenyl)ethyl-methylamino]-N-ethylacetamide
SMILESCCNC(=O)CN(C)C(C)c1ccccc1Cl
InChIInChI=1S/C13H19ClN2O/c1-4-15-13(17)9-16(3)10(2)11-7-5-6-8-12(11)14/h5-8,10H,4,9H2,1-3H3,(H,15,17)
InChIKeyIGPYCDYKPORNOV-UHFFFAOYSA-N
MW254.76 g/mol
LogP2.47
Rot. Bonds5

About 2-[1-(2-chlorophenyl)ethyl-methylamino]-N-ethylacetamide

2-[1-(2-chlorophenyl)ethyl-methylamino]-N-ethylacetamide (PubChem CID 60505315) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is 2-[1-(2-chlorophenyl)ethyl-methylamino]-N-ethylacetamide.

Molecular Properties

Compound Name2-[1-(2-chlorophenyl)ethyl-methylamino]-N-ethylacetamide
PubChem CID60505315
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC Name2-[1-(2-chlorophenyl)ethyl-methylamino]-N-ethylacetamide
SMILESCCNC(=O)CN(C)C(C)c1ccccc1Cl
InChIInChI=1S/C13H19ClN2O/c1-4-15-13(17)9-16(3)10(2)11-7-5-6-8-12(11)14/h5-8,10H,4,9H2,1-3H3,(H,15,17)
InChIKeyIGPYCDYKPORNOV-UHFFFAOYSA-N
XLogP2.47
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-tert-butyl-2-[1-(2-chlorophenyl)ethyl-methylamino]acetamide
CID 84831983
N-tert-butyl-2-[[(1R)-1-(2-chlorophenyl)ethyl]-methylamino]acetamide
CID 8767576
2-[[(1S)-1-(2-chlorophenyl)ethyl]-methylamino]-N-(4-fluorophenyl)acetamide
CID 9253059
2-[[(1R)-1-(2-chlorophenyl)ethyl]-methylamino]-N-(2,3-dimethylphenyl)acetamide
CID 9287667
2-[1-(2-chlorophenyl)ethyl-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 51282265
1-(2-chlorophenyl)-N-ethyl-N-methylethanamine
CID 126986399
2-[1-(2-chlorophenyl)ethyl-methylamino]-N-methyl-N-phenylacetamide
CID 60505511
2-[1-(2-chlorophenyl)ethyl-methylamino]-1-(2-methylphenyl)ethanone
CID 62980408
2-[1-(2-chlorophenyl)ethyl-methylamino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 60505510
1-(azepan-1-yl)-2-[1-(2-chlorophenyl)ethyl-methylamino]ethanone
CID 60505189
2-[[2-amino-1-(2-bromophenyl)propyl]-methylamino]-N-ethylacetamide
CID 55022786
2-[1-(2-fluorophenyl)ethyl-methylamino]-N-(2-hydroxyethyl)acetamide
CID 55140277

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-chlorophenyl)ethyl-methylamino]-N-ethylacetamide?
The IUPAC name of 2-[1-(2-chlorophenyl)ethyl-methylamino]-N-ethylacetamide (CID 60505315) is 2-[1-(2-chlorophenyl)ethyl-methylamino]-N-ethylacetamide.
What is the SMILES notation for 2-[1-(2-chlorophenyl)ethyl-methylamino]-N-ethylacetamide?
The canonical SMILES for 2-[1-(2-chlorophenyl)ethyl-methylamino]-N-ethylacetamide is CCNC(=O)CN(C)C(C)c1ccccc1Cl.
What is the InChIKey of 2-[1-(2-chlorophenyl)ethyl-methylamino]-N-ethylacetamide?
The InChIKey is IGPYCDYKPORNOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O/c1-4-15-13(17)9-16(3)10(2)11-7-5-6-8-12(11)14/h5-8,10H,4,9H2,1-3H3,(H,15,17).
What are the key properties of 2-[1-(2-chlorophenyl)ethyl-methylamino]-N-ethylacetamide?
2-[1-(2-chlorophenyl)ethyl-methylamino]-N-ethylacetamide has a molecular weight of 254.76 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-chlorophenyl)ethyl-methylamino]-N-ethylacetamide is sourced from PubChem (CID 60505315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).