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

C14H19ClN2O2 — CID 114322280

IUPAC2-[2-(aminomethyl)-5-chlorophenoxy]-N-cyclopropyl-N-ethylacetamide
SMILESCCN(C(=O)COc1cc(Cl)ccc1CN)C1CC1
InChIInChI=1S/C14H19ClN2O2/c1-2-17(12-5-6-12)14(18)9-19-13-7-11(15)4-3-10(13)8-16/h3-4,7,12H,2,5-6,8-9,16H2,1H3
InChIKeyIAQOAVZDRFQDCD-UHFFFAOYSA-N
MW282.77 g/mol
LogP2.19
Rot. Bonds6

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

2-[2-(aminomethyl)-5-chlorophenoxy]-N-cyclopropyl-N-ethylacetamide (PubChem CID 114322280) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-5-chlorophenoxy]-N-cyclopropyl-N-ethylacetamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)-5-chlorophenoxy]-N-cyclopropyl-N-ethylacetamide
PubChem CID114322280
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC Name2-[2-(aminomethyl)-5-chlorophenoxy]-N-cyclopropyl-N-ethylacetamide
SMILESCCN(C(=O)COc1cc(Cl)ccc1CN)C1CC1
InChIInChI=1S/C14H19ClN2O2/c1-2-17(12-5-6-12)14(18)9-19-13-7-11(15)4-3-10(13)8-16/h3-4,7,12H,2,5-6,8-9,16H2,1H3
InChIKeyIAQOAVZDRFQDCD-UHFFFAOYSA-N
XLogP2.19
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(aminomethyl)-5-chlorophenoxy]-N-cyclopropyl-N-methylacetamide
CID 113277202
2-(5-chloro-2-cyanophenoxy)-N-cyclopropyl-N-ethylacetamide
CID 80708889
2-[4-chloro-2-(methylaminomethyl)phenoxy]-N-cyclopropyl-N-ethylacetamide
CID 61487978
2-[2-(2-aminoethyl)-5-methoxyphenoxy]-N-cyclopropyl-N-ethylacetamide
CID 61488645
2-[2-(2-aminoethyl)-4,6-dichlorophenoxy]-N-cyclopropyl-N-ethylacetamide
CID 61488542
2-[2-(2-aminoethyl)-4-fluorophenoxy]-N-cyclopropyl-N-ethylacetamide
CID 107700484
N-cyclopropyl-N-ethyl-2-(2-fluoro-5-methylphenoxy)acetamide
CID 64854538
2-[5-(aminomethyl)-2-methoxyphenoxy]-N-cyclopropyl-N-ethylacetamide
CID 61488291
2-[2-(aminomethyl)-4-chlorophenoxy]-N,N-diethylacetamide
CID 43141794
2-[4-(2-aminoethyl)-2-methoxyphenoxy]-N-cyclopropyl-N-ethylacetamide
CID 61488503
2-(2,4-dichlorophenoxy)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethylacetamide
CID 7259860
2-[4-(aminomethyl)phenoxy]-N-cyclopropyl-N-ethylacetamide
CID 43263738

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)-5-chlorophenoxy]-N-cyclopropyl-N-ethylacetamide?
The IUPAC name of 2-[2-(aminomethyl)-5-chlorophenoxy]-N-cyclopropyl-N-ethylacetamide (CID 114322280) is 2-[2-(aminomethyl)-5-chlorophenoxy]-N-cyclopropyl-N-ethylacetamide.
What is the SMILES notation for 2-[2-(aminomethyl)-5-chlorophenoxy]-N-cyclopropyl-N-ethylacetamide?
The canonical SMILES for 2-[2-(aminomethyl)-5-chlorophenoxy]-N-cyclopropyl-N-ethylacetamide is CCN(C(=O)COc1cc(Cl)ccc1CN)C1CC1.
What is the InChIKey of 2-[2-(aminomethyl)-5-chlorophenoxy]-N-cyclopropyl-N-ethylacetamide?
The InChIKey is IAQOAVZDRFQDCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c1-2-17(12-5-6-12)14(18)9-19-13-7-11(15)4-3-10(13)8-16/h3-4,7,12H,2,5-6,8-9,16H2,1H3.
What are the key properties of 2-[2-(aminomethyl)-5-chlorophenoxy]-N-cyclopropyl-N-ethylacetamide?
2-[2-(aminomethyl)-5-chlorophenoxy]-N-cyclopropyl-N-ethylacetamide has a molecular weight of 282.77 g/mol, XLogP of 2.19, 6 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-ethylacetamide is sourced from PubChem (CID 114322280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).