methyl 2-[3-[2-[1-(ethylamino)ethyl]-4-methylphenyl]-4-methoxyphenyl]acetate

C21H27NO3 — CID 58148996

IUPACmethyl 2-[3-[2-[1-(ethylamino)ethyl]-4-methylphenyl]-4-methoxyphenyl]acetate
SMILESCCNC(C)c1cc(C)ccc1-c1cc(CC(=O)OC)ccc1OC
InChIInChI=1S/C21H27NO3/c1-6-22-15(3)18-11-14(2)7-9-17(18)19-12-16(13-21(23)25-5)8-10-20(19)24-4/h7-12,15,22H,6,13H2,1-5H3
InChIKeyTVPMDHJASIXFFV-UHFFFAOYSA-N
MW341.45 g/mol
LogP4.06
Rot. Bonds7

About methyl 2-[3-[2-[1-(ethylamino)ethyl]-4-methylphenyl]-4-methoxyphenyl]acetate

methyl 2-[3-[2-[1-(ethylamino)ethyl]-4-methylphenyl]-4-methoxyphenyl]acetate (PubChem CID 58148996) has the molecular formula C21H27NO3 and a molecular weight of 341.45 g/mol. Its IUPAC name is methyl 2-[3-[2-[1-(ethylamino)ethyl]-4-methylphenyl]-4-methoxyphenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[3-[2-[1-(ethylamino)ethyl]-4-methylphenyl]-4-methoxyphenyl]acetate
PubChem CID58148996
Molecular FormulaC21H27NO3
Molecular Weight341.45 g/mol
Exact Mass341.20
IUPAC Namemethyl 2-[3-[2-[1-(ethylamino)ethyl]-4-methylphenyl]-4-methoxyphenyl]acetate
SMILESCCNC(C)c1cc(C)ccc1-c1cc(CC(=O)OC)ccc1OC
InChIInChI=1S/C21H27NO3/c1-6-22-15(3)18-11-14(2)7-9-17(18)19-12-16(13-21(23)25-5)8-10-20(19)24-4/h7-12,15,22H,6,13H2,1-5H3
InChIKeyTVPMDHJASIXFFV-UHFFFAOYSA-N
XLogP4.06
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-[3-[2-[1-(ethylamino)ethyl]-4-methylphenyl]-4-methoxyphenyl]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-[4-methoxy-3-[2-[1-(methylamino)ethyl]-4-(trifluoromethyl)phenyl]phenyl]acetate
CID 162543583
methyl 2-[3-[2-[(cyclopentylamino)methyl]-4-methylphenyl]-4-methoxyphenyl]acetate
CID 58149067
methyl 2-[3-[2-[[(2-amino-2-oxoethyl)amino]methyl]-4-methylphenyl]-4-methoxyphenyl]acetate;methyl 2-[3-[2-(hydroxymethyl)-4-methylphenyl]-4-methoxyphenyl]acetate
CID 159258346
2-[3-[2-[[ethyl(2-methylpropanoyl)amino]methyl]-4-methylphenyl]-4-methoxyphenyl]acetic acid
CID 58148904
N-ethyl-1-[2-(2-methoxyethoxy)-5-methylphenyl]ethanamine
CID 43505142
2-(3-fluoro-4-methoxyphenyl)-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 9264320
ethyl 2-[4-methoxy-3-[4-methyl-2-(phenoxymethyl)phenyl]phenyl]acetate
CID 58460068
ethyl 2-[3-[2-(ethylaminomethyl)-4-fluorophenyl]-4-methoxyphenyl]acetate
CID 58149135
2-[2-[1-(ethylamino)ethyl]-4-methylphenoxy]-N,N-dimethylpropanamide
CID 43505161
1-[2-(difluoromethoxy)-5-methylphenyl]-N-ethylethanamine
CID 43505197
N-ethyl-1-(2-methoxy-5-methylphenyl)-3-methylpentan-1-amine
CID 114874388
1-(2-methoxy-5-methylphenyl)-N-[(4-methoxyphenyl)methyl]ethanamine
CID 43178128

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-[2-[1-(ethylamino)ethyl]-4-methylphenyl]-4-methoxyphenyl]acetate?
The IUPAC name of methyl 2-[3-[2-[1-(ethylamino)ethyl]-4-methylphenyl]-4-methoxyphenyl]acetate (CID 58148996) is methyl 2-[3-[2-[1-(ethylamino)ethyl]-4-methylphenyl]-4-methoxyphenyl]acetate.
What is the SMILES notation for methyl 2-[3-[2-[1-(ethylamino)ethyl]-4-methylphenyl]-4-methoxyphenyl]acetate?
The canonical SMILES for methyl 2-[3-[2-[1-(ethylamino)ethyl]-4-methylphenyl]-4-methoxyphenyl]acetate is CCNC(C)c1cc(C)ccc1-c1cc(CC(=O)OC)ccc1OC.
What is the InChIKey of methyl 2-[3-[2-[1-(ethylamino)ethyl]-4-methylphenyl]-4-methoxyphenyl]acetate?
The InChIKey is TVPMDHJASIXFFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO3/c1-6-22-15(3)18-11-14(2)7-9-17(18)19-12-16(13-21(23)25-5)8-10-20(19)24-4/h7-12,15,22H,6,13H2,1-5H3.
What are the key properties of methyl 2-[3-[2-[1-(ethylamino)ethyl]-4-methylphenyl]-4-methoxyphenyl]acetate?
methyl 2-[3-[2-[1-(ethylamino)ethyl]-4-methylphenyl]-4-methoxyphenyl]acetate has a molecular weight of 341.45 g/mol, XLogP of 4.06, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-[2-[1-(ethylamino)ethyl]-4-methylphenyl]-4-methoxyphenyl]acetate is sourced from PubChem (CID 58148996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).