ethyl 2-(dimethylamino)-2-(5-ethyl-2-methoxyphenyl)acetate

C15H23NO3 — CID 116914250

IUPACethyl 2-(dimethylamino)-2-(5-ethyl-2-methoxyphenyl)acetate
SMILESCCOC(=O)C(c1cc(CC)ccc1OC)N(C)C
InChIInChI=1S/C15H23NO3/c1-6-11-8-9-13(18-5)12(10-11)14(16(3)4)15(17)19-7-2/h8-10,14H,6-7H2,1-5H3
InChIKeyIHRCNXWQDIKABB-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.42
Rot. Bonds6

About ethyl 2-(dimethylamino)-2-(5-ethyl-2-methoxyphenyl)acetate

ethyl 2-(dimethylamino)-2-(5-ethyl-2-methoxyphenyl)acetate (PubChem CID 116914250) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is ethyl 2-(dimethylamino)-2-(5-ethyl-2-methoxyphenyl)acetate.

Molecular Properties

Compound Nameethyl 2-(dimethylamino)-2-(5-ethyl-2-methoxyphenyl)acetate
PubChem CID116914250
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Nameethyl 2-(dimethylamino)-2-(5-ethyl-2-methoxyphenyl)acetate
SMILESCCOC(=O)C(c1cc(CC)ccc1OC)N(C)C
InChIInChI=1S/C15H23NO3/c1-6-11-8-9-13(18-5)12(10-11)14(16(3)4)15(17)19-7-2/h8-10,14H,6-7H2,1-5H3
InChIKeyIHRCNXWQDIKABB-UHFFFAOYSA-N
XLogP2.42
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-ethyl-2-methoxyphenyl)-N,N-dimethylethanamine
CID 116914618
ethyl 2-(dimethylamino)-2-(4-methoxy-3-methylphenyl)acetate
CID 116914223
3-(dimethylamino)-3-(5-ethyl-2-methoxyphenyl)-2-methylpropan-1-ol
CID 83942689
5-(5-ethyl-2-methoxyphenyl)heptan-2-one
CID 83942671
5-amino-5-(5-ethyl-2-methoxyphenyl)pentan-2-one
CID 116940702
ethyl 3-(3-ethyl-4-methoxyphenyl)-2-methylpropanoate
CID 58566780
ethane;4-ethyl-1-methoxy-2-propan-2-ylbenzene
CID 142904344
chloro-(5-ethyl-2-methoxyphenyl)methanamine
CID 116947761
N'-ethyl-1-(5-ethyl-2-methoxyphenyl)-N,N-dimethylethane-1,2-diamine
CID 116905892
ethyl 2-(5-hydroxy-2-methoxyphenyl)propanoate
CID 105481737
2-[amino-(5-ethyl-2-methoxyphenyl)methyl]-3-methylbutanenitrile
CID 116946337
2-amino-2-(5-ethyl-2-methoxyphenyl)ethanethiol
CID 116830495

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(dimethylamino)-2-(5-ethyl-2-methoxyphenyl)acetate?
The IUPAC name of ethyl 2-(dimethylamino)-2-(5-ethyl-2-methoxyphenyl)acetate (CID 116914250) is ethyl 2-(dimethylamino)-2-(5-ethyl-2-methoxyphenyl)acetate.
What is the SMILES notation for ethyl 2-(dimethylamino)-2-(5-ethyl-2-methoxyphenyl)acetate?
The canonical SMILES for ethyl 2-(dimethylamino)-2-(5-ethyl-2-methoxyphenyl)acetate is CCOC(=O)C(c1cc(CC)ccc1OC)N(C)C.
What is the InChIKey of ethyl 2-(dimethylamino)-2-(5-ethyl-2-methoxyphenyl)acetate?
The InChIKey is IHRCNXWQDIKABB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-6-11-8-9-13(18-5)12(10-11)14(16(3)4)15(17)19-7-2/h8-10,14H,6-7H2,1-5H3.
What are the key properties of ethyl 2-(dimethylamino)-2-(5-ethyl-2-methoxyphenyl)acetate?
ethyl 2-(dimethylamino)-2-(5-ethyl-2-methoxyphenyl)acetate has a molecular weight of 265.35 g/mol, XLogP of 2.42, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(dimethylamino)-2-(5-ethyl-2-methoxyphenyl)acetate is sourced from PubChem (CID 116914250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).