2-[4-[(1R)-1-aminoethyl]-2-methoxyphenoxy]-N-ethylacetamide

C13H20N2O3 — CID 30120639

IUPAC2-[4-[(1R)-1-aminoethyl]-2-methoxyphenoxy]-N-ethylacetamide
SMILESCCNC(=O)COc1ccc([C@@H](C)N)cc1OC
InChIInChI=1S/C13H20N2O3/c1-4-15-13(16)8-18-11-6-5-10(9(2)14)7-12(11)17-3/h5-7,9H,4,8,14H2,1-3H3,(H,15,16)/t9-/m1/s1
InChIKeyXZOPPPPJTOFYIY-SECBINFHSA-N
MW252.31 g/mol
LogP1.23
Rot. Bonds6

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

2-[4-[(1R)-1-aminoethyl]-2-methoxyphenoxy]-N-ethylacetamide (PubChem CID 30120639) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 2-[4-[(1R)-1-aminoethyl]-2-methoxyphenoxy]-N-ethylacetamide.

Molecular Properties

Compound Name2-[4-[(1R)-1-aminoethyl]-2-methoxyphenoxy]-N-ethylacetamide
PubChem CID30120639
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name2-[4-[(1R)-1-aminoethyl]-2-methoxyphenoxy]-N-ethylacetamide
SMILESCCNC(=O)COc1ccc([C@@H](C)N)cc1OC
InChIInChI=1S/C13H20N2O3/c1-4-15-13(16)8-18-11-6-5-10(9(2)14)7-12(11)17-3/h5-7,9H,4,8,14H2,1-3H3,(H,15,16)/t9-/m1/s1
InChIKeyXZOPPPPJTOFYIY-SECBINFHSA-N
XLogP1.23
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(1-aminoethyl)-2-methoxyphenoxy]-N-(2-methylpropyl)acetamide
CID 16783572
2-[4-(1-aminoethyl)-2-methoxyphenoxy]-N-(3-methylbutyl)acetamide
CID 61486644
2-[4-[(1S)-1-aminoethyl]-2-methoxyphenoxy]-N-carbamoylacetamide
CID 30114776
2-[4-[(1R)-1-aminoethyl]-2-methoxyphenoxy]-N-(3-methoxypropyl)acetamide
CID 63366894
2-[4-[1-(ethylamino)ethyl]-2-methoxyphenoxy]-N-propylacetamide
CID 43279460
2-[4-[[[(2R)-butan-2-yl]amino]methyl]-2-methoxyphenoxy]-N-ethylacetamide
CID 94458976
3-[4-[(1S)-1-aminoethyl]-2-methoxyphenoxy]-N-methylpropanamide
CID 78936627
1-[3-methoxy-4-(2-methylprop-2-enoxy)phenyl]ethanamine
CID 60880342
(1S)-1-[4-(2-chloroprop-2-enoxy)-3-methoxyphenyl]ethanamine
CID 78936706
3-amino-N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-2-methyl-3-phenylpropanamide
CID 119712627
3-amino-N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-3-phenylpropanamide
CID 119949555
3-[4-[(1S)-1-aminoethyl]-2-methoxyphenoxy]-2,2-dimethylpropanoic acid
CID 79629501

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1R)-1-aminoethyl]-2-methoxyphenoxy]-N-ethylacetamide?
The IUPAC name of 2-[4-[(1R)-1-aminoethyl]-2-methoxyphenoxy]-N-ethylacetamide (CID 30120639) is 2-[4-[(1R)-1-aminoethyl]-2-methoxyphenoxy]-N-ethylacetamide.
What is the SMILES notation for 2-[4-[(1R)-1-aminoethyl]-2-methoxyphenoxy]-N-ethylacetamide?
The canonical SMILES for 2-[4-[(1R)-1-aminoethyl]-2-methoxyphenoxy]-N-ethylacetamide is CCNC(=O)COc1ccc([C@@H](C)N)cc1OC.
What is the InChIKey of 2-[4-[(1R)-1-aminoethyl]-2-methoxyphenoxy]-N-ethylacetamide?
The InChIKey is XZOPPPPJTOFYIY-SECBINFHSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-4-15-13(16)8-18-11-6-5-10(9(2)14)7-12(11)17-3/h5-7,9H,4,8,14H2,1-3H3,(H,15,16)/t9-/m1/s1.
What are the key properties of 2-[4-[(1R)-1-aminoethyl]-2-methoxyphenoxy]-N-ethylacetamide?
2-[4-[(1R)-1-aminoethyl]-2-methoxyphenoxy]-N-ethylacetamide has a molecular weight of 252.31 g/mol, XLogP of 1.23, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1R)-1-aminoethyl]-2-methoxyphenoxy]-N-ethylacetamide is sourced from PubChem (CID 30120639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).