2-[5-(2-aminoethyl)-2-methoxyphenoxy]-N-ethyl-N-methylacetamide

C14H22N2O3 — CID 54930640

IUPAC2-[5-(2-aminoethyl)-2-methoxyphenoxy]-N-ethyl-N-methylacetamide
SMILESCCN(C)C(=O)COc1cc(CCN)ccc1OC
InChIInChI=1S/C14H22N2O3/c1-4-16(2)14(17)10-19-13-9-11(7-8-15)5-6-12(13)18-3/h5-6,9H,4,7-8,10,15H2,1-3H3
InChIKeyCYLNZIUHBARUFZ-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.05
Rot. Bonds7

About 2-[5-(2-aminoethyl)-2-methoxyphenoxy]-N-ethyl-N-methylacetamide

2-[5-(2-aminoethyl)-2-methoxyphenoxy]-N-ethyl-N-methylacetamide (PubChem CID 54930640) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-[5-(2-aminoethyl)-2-methoxyphenoxy]-N-ethyl-N-methylacetamide.

Molecular Properties

Compound Name2-[5-(2-aminoethyl)-2-methoxyphenoxy]-N-ethyl-N-methylacetamide
PubChem CID54930640
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name2-[5-(2-aminoethyl)-2-methoxyphenoxy]-N-ethyl-N-methylacetamide
SMILESCCN(C)C(=O)COc1cc(CCN)ccc1OC
InChIInChI=1S/C14H22N2O3/c1-4-16(2)14(17)10-19-13-9-11(7-8-15)5-6-12(13)18-3/h5-6,9H,4,7-8,10,15H2,1-3H3
InChIKeyCYLNZIUHBARUFZ-UHFFFAOYSA-N
XLogP1.05
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(2-aminoethyl)-2-ethoxyphenoxy]-N-ethyl-N-methylacetamide
CID 60906427
N-ethyl-2-[5-(hydroxymethyl)-2-methoxyphenoxy]-N-methylacetamide
CID 43309789
N-ethyl-2-[2-methoxy-5-[(propan-2-ylamino)methyl]phenoxy]-N-methylacetamide
CID 43309459
2-[4-(2-aminoethyl)-2-ethoxyphenoxy]-N-methyl-N-propan-2-ylacetamide
CID 60905074
2-[4-(2-aminoethyl)-2-methoxyphenoxy]-N-cyclopropyl-N-ethylacetamide
CID 61488503
2-[2-(2-aminoethyl)-5-methoxyphenoxy]-N-ethyl-N-methylacetamide
CID 61268758
2-[2-ethoxy-4-(hydroxymethyl)phenoxy]-N-ethyl-N-methylacetamide
CID 43309787
N-ethyl-2-[2-methoxy-4-[(propan-2-ylamino)methyl]phenoxy]-N-methylacetamide
CID 43309454
2-[4-(2-aminoethyl)-2-ethoxyphenoxy]-N-cyclopropyl-N-methylacetamide
CID 61489590
3-[5-(2-aminoethyl)-2-methoxyphenoxy]-2,2-dimethylpropanoic acid
CID 79619998
2-[5-(aminomethyl)-2-methoxyphenoxy]-N-cyclopropyl-N-ethylacetamide
CID 61488291
2-(3,4-dimethoxyphenyl)ethanamine;hydroiodide
CID 46741035

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-aminoethyl)-2-methoxyphenoxy]-N-ethyl-N-methylacetamide?
The IUPAC name of 2-[5-(2-aminoethyl)-2-methoxyphenoxy]-N-ethyl-N-methylacetamide (CID 54930640) is 2-[5-(2-aminoethyl)-2-methoxyphenoxy]-N-ethyl-N-methylacetamide.
What is the SMILES notation for 2-[5-(2-aminoethyl)-2-methoxyphenoxy]-N-ethyl-N-methylacetamide?
The canonical SMILES for 2-[5-(2-aminoethyl)-2-methoxyphenoxy]-N-ethyl-N-methylacetamide is CCN(C)C(=O)COc1cc(CCN)ccc1OC.
What is the InChIKey of 2-[5-(2-aminoethyl)-2-methoxyphenoxy]-N-ethyl-N-methylacetamide?
The InChIKey is CYLNZIUHBARUFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-4-16(2)14(17)10-19-13-9-11(7-8-15)5-6-12(13)18-3/h5-6,9H,4,7-8,10,15H2,1-3H3.
What are the key properties of 2-[5-(2-aminoethyl)-2-methoxyphenoxy]-N-ethyl-N-methylacetamide?
2-[5-(2-aminoethyl)-2-methoxyphenoxy]-N-ethyl-N-methylacetamide has a molecular weight of 266.34 g/mol, XLogP of 1.05, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-aminoethyl)-2-methoxyphenoxy]-N-ethyl-N-methylacetamide is sourced from PubChem (CID 54930640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).