2-[2-(aminomethyl)-5-chlorophenoxy]-N-cyclopropyl-N-methylacetamide

C13H17ClN2O2 — CID 113277202

IUPAC2-[2-(aminomethyl)-5-chlorophenoxy]-N-cyclopropyl-N-methylacetamide
SMILESCN(C(=O)COc1cc(Cl)ccc1CN)C1CC1
InChIInChI=1S/C13H17ClN2O2/c1-16(11-4-5-11)13(17)8-18-12-6-10(14)3-2-9(12)7-15/h2-3,6,11H,4-5,7-8,15H2,1H3
InChIKeyWSMWRGFVBBAINF-UHFFFAOYSA-N
MW268.74 g/mol
LogP1.80
Rot. Bonds5

About 2-[2-(aminomethyl)-5-chlorophenoxy]-N-cyclopropyl-N-methylacetamide

2-[2-(aminomethyl)-5-chlorophenoxy]-N-cyclopropyl-N-methylacetamide (PubChem CID 113277202) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-5-chlorophenoxy]-N-cyclopropyl-N-methylacetamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)-5-chlorophenoxy]-N-cyclopropyl-N-methylacetamide
PubChem CID113277202
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC Name2-[2-(aminomethyl)-5-chlorophenoxy]-N-cyclopropyl-N-methylacetamide
SMILESCN(C(=O)COc1cc(Cl)ccc1CN)C1CC1
InChIInChI=1S/C13H17ClN2O2/c1-16(11-4-5-11)13(17)8-18-12-6-10(14)3-2-9(12)7-15/h2-3,6,11H,4-5,7-8,15H2,1H3
InChIKeyWSMWRGFVBBAINF-UHFFFAOYSA-N
XLogP1.80
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(aminomethyl)-5-chlorophenoxy]-N-cyclopropyl-N-ethylacetamide
CID 114322280
2-(2-amino-4-chlorophenoxy)-N-cyclopropyl-N-methylacetamide
CID 54956878
2-[2-(aminomethyl)-5-propoxyphenoxy]-N-cyclopropyl-N-methylacetamide
CID 61488754
2-(4-chlorophenoxy)-N-cyclopropyl-N-methylacetamide
CID 60747870
2-(2,4-dichlorophenoxy)-N-methyl-N-(1-methylpiperidin-4-yl)acetamide
CID 110830692
2-[2-(2-aminoethyl)-4-fluorophenoxy]-N-cyclopropyl-N-methylacetamide
CID 107699900
2-[4-chloro-2-[1-(ethylamino)ethyl]phenoxy]-N-cyclopropyl-N-methylacetamide
CID 62072702
2-(2,4-dichlorophenoxy)-N-methyl-N-pyrrolidin-3-ylacetamide
CID 82177023
2-[4-(2-aminoethyl)-2-ethoxyphenoxy]-N-cyclopropyl-N-methylacetamide
CID 61489590
2-(4-chlorophenoxy)-N-cycloheptyl-N-methylacetamide
CID 55468954
N-cyclopropyl-2-(2,5-dimethylphenoxy)-N-methylacetamide
CID 113222109
2-(4-chlorophenoxy)-N-methyl-N-[4-(methylamino)cyclohexyl]acetamide
CID 79117952

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)-5-chlorophenoxy]-N-cyclopropyl-N-methylacetamide?
The IUPAC name of 2-[2-(aminomethyl)-5-chlorophenoxy]-N-cyclopropyl-N-methylacetamide (CID 113277202) is 2-[2-(aminomethyl)-5-chlorophenoxy]-N-cyclopropyl-N-methylacetamide.
What is the SMILES notation for 2-[2-(aminomethyl)-5-chlorophenoxy]-N-cyclopropyl-N-methylacetamide?
The canonical SMILES for 2-[2-(aminomethyl)-5-chlorophenoxy]-N-cyclopropyl-N-methylacetamide is CN(C(=O)COc1cc(Cl)ccc1CN)C1CC1.
What is the InChIKey of 2-[2-(aminomethyl)-5-chlorophenoxy]-N-cyclopropyl-N-methylacetamide?
The InChIKey is WSMWRGFVBBAINF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O2/c1-16(11-4-5-11)13(17)8-18-12-6-10(14)3-2-9(12)7-15/h2-3,6,11H,4-5,7-8,15H2,1H3.
What are the key properties of 2-[2-(aminomethyl)-5-chlorophenoxy]-N-cyclopropyl-N-methylacetamide?
2-[2-(aminomethyl)-5-chlorophenoxy]-N-cyclopropyl-N-methylacetamide has a molecular weight of 268.74 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)-5-chlorophenoxy]-N-cyclopropyl-N-methylacetamide is sourced from PubChem (CID 113277202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).