2-[(2-amino-5-chlorophenyl)methyl-methylamino]-N-ethylacetamide

C12H18ClN3O — CID 79582319

IUPAC2-[(2-amino-5-chlorophenyl)methyl-methylamino]-N-ethylacetamide
SMILESCCNC(=O)CN(C)Cc1cc(Cl)ccc1N
InChIInChI=1S/C12H18ClN3O/c1-3-15-12(17)8-16(2)7-9-6-10(13)4-5-11(9)14/h4-6H,3,7-8,14H2,1-2H3,(H,15,17)
InChIKeyQKTZELOAWHEENK-UHFFFAOYSA-N
MW255.75 g/mol
LogP1.49
Rot. Bonds5

About 2-[(2-amino-5-chlorophenyl)methyl-methylamino]-N-ethylacetamide

2-[(2-amino-5-chlorophenyl)methyl-methylamino]-N-ethylacetamide (PubChem CID 79582319) has the molecular formula C12H18ClN3O and a molecular weight of 255.75 g/mol. Its IUPAC name is 2-[(2-amino-5-chlorophenyl)methyl-methylamino]-N-ethylacetamide.

Molecular Properties

Compound Name2-[(2-amino-5-chlorophenyl)methyl-methylamino]-N-ethylacetamide
PubChem CID79582319
Molecular FormulaC12H18ClN3O
Molecular Weight255.75 g/mol
Exact Mass255.11
IUPAC Name2-[(2-amino-5-chlorophenyl)methyl-methylamino]-N-ethylacetamide
SMILESCCNC(=O)CN(C)Cc1cc(Cl)ccc1N
InChIInChI=1S/C12H18ClN3O/c1-3-15-12(17)8-16(2)7-9-6-10(13)4-5-11(9)14/h4-6H,3,7-8,14H2,1-2H3,(H,15,17)
InChIKeyQKTZELOAWHEENK-UHFFFAOYSA-N
XLogP1.49
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-aminophenyl)methyl-methylamino]-N-ethylacetamide
CID 43458547
2-amino-4-chloro-N-[2-(ethylamino)-2-oxoethyl]-N-methylbenzamide
CID 61115646
2-[(5-chloro-2-hydroxy-3-methoxyphenyl)methyl-methylamino]-N-ethylacetamide
CID 104643530
2-[[2-[(4-chlorophenyl)methyl-methylamino]acetyl]amino]-N-ethylacetamide
CID 8540987
2-[(5-chloro-2-hydroxyphenyl)methyl-ethylamino]-N-ethylacetamide
CID 82986726
N-ethyl-2-[(2-fluorophenyl)methyl-methylamino]acetamide
CID 78791355
N-ethyl-2-[(3-fluoro-2-hydroxyphenyl)methyl-methylamino]acetamide
CID 112616212
2-[[3-(aminomethyl)-4-fluorophenyl]methyl-methylamino]-N-ethylacetamide
CID 114011952
2-(2-amino-5-chloro-4-fluoro-N-methylanilino)-N-ethylacetamide
CID 114088970
2-[(2-aminophenyl)methyl-methylamino]-N-(3-chlorophenyl)acetamide
CID 43458599
2-(2-carbamothioyl-5-chloro-N-methylanilino)-N-ethylacetamide
CID 63092484
2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-N-(3-methoxypropyl)acetamide
CID 51227933

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-5-chlorophenyl)methyl-methylamino]-N-ethylacetamide?
The IUPAC name of 2-[(2-amino-5-chlorophenyl)methyl-methylamino]-N-ethylacetamide (CID 79582319) is 2-[(2-amino-5-chlorophenyl)methyl-methylamino]-N-ethylacetamide.
What is the SMILES notation for 2-[(2-amino-5-chlorophenyl)methyl-methylamino]-N-ethylacetamide?
The canonical SMILES for 2-[(2-amino-5-chlorophenyl)methyl-methylamino]-N-ethylacetamide is CCNC(=O)CN(C)Cc1cc(Cl)ccc1N.
What is the InChIKey of 2-[(2-amino-5-chlorophenyl)methyl-methylamino]-N-ethylacetamide?
The InChIKey is QKTZELOAWHEENK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O/c1-3-15-12(17)8-16(2)7-9-6-10(13)4-5-11(9)14/h4-6H,3,7-8,14H2,1-2H3,(H,15,17).
What are the key properties of 2-[(2-amino-5-chlorophenyl)methyl-methylamino]-N-ethylacetamide?
2-[(2-amino-5-chlorophenyl)methyl-methylamino]-N-ethylacetamide has a molecular weight of 255.75 g/mol, XLogP of 1.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-5-chlorophenyl)methyl-methylamino]-N-ethylacetamide is sourced from PubChem (CID 79582319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).