ethyl 2-(methylamino)-2-(3-propan-2-yloxyphenyl)acetate

C14H21NO3 — CID 61212076

IUPACethyl 2-(methylamino)-2-(3-propan-2-yloxyphenyl)acetate
SMILESCCOC(=O)C(NC)c1cccc(OC(C)C)c1
InChIInChI=1S/C14H21NO3/c1-5-17-14(16)13(15-4)11-7-6-8-12(9-11)18-10(2)3/h6-10,13,15H,5H2,1-4H3
InChIKeyGFKJYLZXWVDVJL-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.30
Rot. Bonds6

About ethyl 2-(methylamino)-2-(3-propan-2-yloxyphenyl)acetate

ethyl 2-(methylamino)-2-(3-propan-2-yloxyphenyl)acetate (PubChem CID 61212076) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is ethyl 2-(methylamino)-2-(3-propan-2-yloxyphenyl)acetate.

Molecular Properties

Compound Nameethyl 2-(methylamino)-2-(3-propan-2-yloxyphenyl)acetate
PubChem CID61212076
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Nameethyl 2-(methylamino)-2-(3-propan-2-yloxyphenyl)acetate
SMILESCCOC(=O)C(NC)c1cccc(OC(C)C)c1
InChIInChI=1S/C14H21NO3/c1-5-17-14(16)13(15-4)11-7-6-8-12(9-11)18-10(2)3/h6-10,13,15H,5H2,1-4H3
InChIKeyGFKJYLZXWVDVJL-UHFFFAOYSA-N
XLogP2.30
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 2-(methylamino)-2-(3-propan-2-yloxyphenyl)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-(3-ethoxyphenyl)-2-(methylamino)acetate
CID 60873905
ethyl 2-(3-ethoxyphenyl)-2-(propylamino)acetate
CID 60874093
ethyl 2-[3-[(1R)-1-aminoethyl]phenoxy]butanoate
CID 78996836
ethyl 2-(3-ethoxyphenyl)-2-(prop-2-enylamino)acetate
CID 62353489
ethyl (2S)-2-(3,4-difluorophenyl)-2-(methylamino)acetate
CID 51888823
ethyl 2-(ethylamino)-2-(4-propan-2-yloxyphenyl)acetate
CID 54932724
2-ethoxy-N,2-dimethyl-1-(3-propan-2-yloxyphenyl)propan-1-amine
CID 116726622
2-(3-methoxyphenyl)-2-(methylamino)acetamide
CID 60797274
3-(ethylamino)-3-(3-propan-2-yloxyphenyl)propanamide
CID 65233677
ethyl 2-[(3-propan-2-yloxyphenyl)methylamino]propanoate
CID 61498264
1-(3-propan-2-yloxyphenyl)pentan-1-amine
CID 79016250
2-(methylamino)-N-[1-(3-propan-2-yloxyphenyl)ethyl]acetamide
CID 43705705

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(methylamino)-2-(3-propan-2-yloxyphenyl)acetate?
The IUPAC name of ethyl 2-(methylamino)-2-(3-propan-2-yloxyphenyl)acetate (CID 61212076) is ethyl 2-(methylamino)-2-(3-propan-2-yloxyphenyl)acetate.
What is the SMILES notation for ethyl 2-(methylamino)-2-(3-propan-2-yloxyphenyl)acetate?
The canonical SMILES for ethyl 2-(methylamino)-2-(3-propan-2-yloxyphenyl)acetate is CCOC(=O)C(NC)c1cccc(OC(C)C)c1.
What is the InChIKey of ethyl 2-(methylamino)-2-(3-propan-2-yloxyphenyl)acetate?
The InChIKey is GFKJYLZXWVDVJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-5-17-14(16)13(15-4)11-7-6-8-12(9-11)18-10(2)3/h6-10,13,15H,5H2,1-4H3.
What are the key properties of ethyl 2-(methylamino)-2-(3-propan-2-yloxyphenyl)acetate?
ethyl 2-(methylamino)-2-(3-propan-2-yloxyphenyl)acetate has a molecular weight of 251.33 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(methylamino)-2-(3-propan-2-yloxyphenyl)acetate is sourced from PubChem (CID 61212076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).