2-[2-(1-aminoethyl)-4-chlorophenoxy]-N-ethylacetamide

C12H17ClN2O2 — CID 55031256

IUPAC2-[2-(1-aminoethyl)-4-chlorophenoxy]-N-ethylacetamide
SMILESCCNC(=O)COc1ccc(Cl)cc1C(C)N
InChIInChI=1S/C12H17ClN2O2/c1-3-15-12(16)7-17-11-5-4-9(13)6-10(11)8(2)14/h4-6,8H,3,7,14H2,1-2H3,(H,15,16)
InChIKeyYYTDVGOPAOCPJZ-UHFFFAOYSA-N
MW256.73 g/mol
LogP1.87
Rot. Bonds5

About 2-[2-(1-aminoethyl)-4-chlorophenoxy]-N-ethylacetamide

2-[2-(1-aminoethyl)-4-chlorophenoxy]-N-ethylacetamide (PubChem CID 55031256) has the molecular formula C12H17ClN2O2 and a molecular weight of 256.73 g/mol. Its IUPAC name is 2-[2-(1-aminoethyl)-4-chlorophenoxy]-N-ethylacetamide.

Molecular Properties

Compound Name2-[2-(1-aminoethyl)-4-chlorophenoxy]-N-ethylacetamide
PubChem CID55031256
Molecular FormulaC12H17ClN2O2
Molecular Weight256.73 g/mol
Exact Mass256.10
IUPAC Name2-[2-(1-aminoethyl)-4-chlorophenoxy]-N-ethylacetamide
SMILESCCNC(=O)COc1ccc(Cl)cc1C(C)N
InChIInChI=1S/C12H17ClN2O2/c1-3-15-12(16)7-17-11-5-4-9(13)6-10(11)8(2)14/h4-6,8H,3,7,14H2,1-2H3,(H,15,16)
InChIKeyYYTDVGOPAOCPJZ-UHFFFAOYSA-N
XLogP1.87
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.73
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[(1R)-1-aminoethyl]-4-chlorophenoxy]-N-(cyanomethyl)acetamide
CID 78932736
2-[2-[(1R)-1-aminoethyl]phenoxy]-N-ethylacetamide
CID 30118137
1-[5-chloro-2-(2-methylidenebutoxy)phenyl]ethanamine
CID 66044710
2-[2-[(1R)-1-aminoethyl]-4-chlorophenoxy]-N-methyl-N-propan-2-ylacetamide
CID 63366702
2-[4-chloro-2-[1-(ethylamino)ethyl]phenoxy]-N-(2-methoxyethyl)acetamide
CID 62072700
3-[4-chloro-2-[(1R)-1-hydroxyethyl]phenoxy]-N-ethylpropanamide
CID 78931458
2-[2-(1-aminoethyl)-4-bromophenoxy]-N-propylacetamide
CID 62369378
2-[4-chloro-2-[1-(methylamino)ethyl]phenoxy]-N-(2-methylpropyl)acetamide
CID 62074574
2-[4-[(1R)-1-aminoethyl]-2-methoxyphenoxy]-N-ethylacetamide
CID 30120639
2-[4-chloro-2-[(1R)-1-hydroxyethyl]phenoxy]-N-pentan-3-ylacetamide
CID 63364503
2-[2-[(1R)-1-aminoethyl]-4-methylphenoxy]-N-butylacetamide
CID 55190440
2-[4-chloro-2-[(1S)-1-hydroxyethyl]phenoxy]-N-(2-methoxyethyl)acetamide
CID 78931610

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-aminoethyl)-4-chlorophenoxy]-N-ethylacetamide?
The IUPAC name of 2-[2-(1-aminoethyl)-4-chlorophenoxy]-N-ethylacetamide (CID 55031256) is 2-[2-(1-aminoethyl)-4-chlorophenoxy]-N-ethylacetamide.
What is the SMILES notation for 2-[2-(1-aminoethyl)-4-chlorophenoxy]-N-ethylacetamide?
The canonical SMILES for 2-[2-(1-aminoethyl)-4-chlorophenoxy]-N-ethylacetamide is CCNC(=O)COc1ccc(Cl)cc1C(C)N.
What is the InChIKey of 2-[2-(1-aminoethyl)-4-chlorophenoxy]-N-ethylacetamide?
The InChIKey is YYTDVGOPAOCPJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O2/c1-3-15-12(16)7-17-11-5-4-9(13)6-10(11)8(2)14/h4-6,8H,3,7,14H2,1-2H3,(H,15,16).
What are the key properties of 2-[2-(1-aminoethyl)-4-chlorophenoxy]-N-ethylacetamide?
2-[2-(1-aminoethyl)-4-chlorophenoxy]-N-ethylacetamide has a molecular weight of 256.73 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-aminoethyl)-4-chlorophenoxy]-N-ethylacetamide is sourced from PubChem (CID 55031256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).