2-[2-(aminomethyl)-4-chlorophenoxy]-N,N-diethylacetamide

C13H19ClN2O2 — CID 43141794

IUPAC2-[2-(aminomethyl)-4-chlorophenoxy]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)COc1ccc(Cl)cc1CN
InChIInChI=1S/C13H19ClN2O2/c1-3-16(4-2)13(17)9-18-12-6-5-11(14)7-10(12)8-15/h5-7H,3-4,8-9,15H2,1-2H3
InChIKeyILISTPLGWLIAHF-UHFFFAOYSA-N
MW270.76 g/mol
LogP2.05
Rot. Bonds6

About 2-[2-(aminomethyl)-4-chlorophenoxy]-N,N-diethylacetamide

2-[2-(aminomethyl)-4-chlorophenoxy]-N,N-diethylacetamide (PubChem CID 43141794) has the molecular formula C13H19ClN2O2 and a molecular weight of 270.76 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-4-chlorophenoxy]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)-4-chlorophenoxy]-N,N-diethylacetamide
PubChem CID43141794
Molecular FormulaC13H19ClN2O2
Molecular Weight270.76 g/mol
Exact Mass270.11
IUPAC Name2-[2-(aminomethyl)-4-chlorophenoxy]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)COc1ccc(Cl)cc1CN
InChIInChI=1S/C13H19ClN2O2/c1-3-16(4-2)13(17)9-18-12-6-5-11(14)7-10(12)8-15/h5-7H,3-4,8-9,15H2,1-2H3
InChIKeyILISTPLGWLIAHF-UHFFFAOYSA-N
XLogP2.05
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(aminomethyl)phenoxy]-N,N-diethylacetamide
CID 16771866
2-(4-chloro-2-sulfamoylphenoxy)-N,N-diethylacetamide
CID 82915390
[5-chloro-2-(2-methylidenebutoxy)phenyl]methanamine
CID 66046375
2-[2-(2-aminoethyl)-4-fluorophenoxy]-N,N-diethylacetamide
CID 107700208
2-[2-(aminomethyl)-4-chlorophenoxy]-N-butylacetamide
CID 54956381
2-[2-(aminomethyl)-5-chlorophenoxy]-N-cyclopropyl-N-ethylacetamide
CID 114322280
2-(2,4-dichlorophenoxy)-N-ethyl-N-(2-hydroxy-2-methylpropyl)acetamide
CID 79387659
ethyl 2-[[2-(2,5-dichlorophenoxy)acetyl]-ethylamino]acetate
CID 61021135
2-[2-(aminomethyl)-4-chlorophenoxy]-N-prop-2-ynylacetamide
CID 60879263
5-chloro-2-[2-(diethylamino)-2-oxoethoxy]-N-phenylbenzamide
CID 7893374
2-(4-carbamothioyl-2-fluorophenoxy)-N,N-diethylacetamide
CID 107665931
2-[2-(aminomethyl)phenoxy]-N-(2-ethoxyethyl)-N-ethylacetamide
CID 63697693

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)-4-chlorophenoxy]-N,N-diethylacetamide?
The IUPAC name of 2-[2-(aminomethyl)-4-chlorophenoxy]-N,N-diethylacetamide (CID 43141794) is 2-[2-(aminomethyl)-4-chlorophenoxy]-N,N-diethylacetamide.
What is the SMILES notation for 2-[2-(aminomethyl)-4-chlorophenoxy]-N,N-diethylacetamide?
The canonical SMILES for 2-[2-(aminomethyl)-4-chlorophenoxy]-N,N-diethylacetamide is CCN(CC)C(=O)COc1ccc(Cl)cc1CN.
What is the InChIKey of 2-[2-(aminomethyl)-4-chlorophenoxy]-N,N-diethylacetamide?
The InChIKey is ILISTPLGWLIAHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2/c1-3-16(4-2)13(17)9-18-12-6-5-11(14)7-10(12)8-15/h5-7H,3-4,8-9,15H2,1-2H3.
What are the key properties of 2-[2-(aminomethyl)-4-chlorophenoxy]-N,N-diethylacetamide?
2-[2-(aminomethyl)-4-chlorophenoxy]-N,N-diethylacetamide has a molecular weight of 270.76 g/mol, XLogP of 2.05, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)-4-chlorophenoxy]-N,N-diethylacetamide is sourced from PubChem (CID 43141794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).