methyl 2-[4-methoxy-3-[2-[1-(methylamino)ethyl]-4-(trifluoromethyl)phenyl]phenyl]acetate

C20H22F3NO3 — CID 162543583

IUPACmethyl 2-[4-methoxy-3-[2-[1-(methylamino)ethyl]-4-(trifluoromethyl)phenyl]phenyl]acetate
SMILESCNC(C)c1cc(C(F)(F)F)ccc1-c1cc(CC(=O)OC)ccc1OC
InChIInChI=1S/C20H22F3NO3/c1-12(24-2)16-11-14(20(21,22)23)6-7-15(16)17-9-13(10-19(25)27-4)5-8-18(17)26-3/h5-9,11-12,24H,10H2,1-4H3
InChIKeyUHQAXVMWXOSNFK-UHFFFAOYSA-N
MW381.39 g/mol
LogP4.38
Rot. Bonds6

About methyl 2-[4-methoxy-3-[2-[1-(methylamino)ethyl]-4-(trifluoromethyl)phenyl]phenyl]acetate

methyl 2-[4-methoxy-3-[2-[1-(methylamino)ethyl]-4-(trifluoromethyl)phenyl]phenyl]acetate (PubChem CID 162543583) has the molecular formula C20H22F3NO3 and a molecular weight of 381.39 g/mol. Its IUPAC name is methyl 2-[4-methoxy-3-[2-[1-(methylamino)ethyl]-4-(trifluoromethyl)phenyl]phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-methoxy-3-[2-[1-(methylamino)ethyl]-4-(trifluoromethyl)phenyl]phenyl]acetate
PubChem CID162543583
Molecular FormulaC20H22F3NO3
Molecular Weight381.39 g/mol
Exact Mass381.16
IUPAC Namemethyl 2-[4-methoxy-3-[2-[1-(methylamino)ethyl]-4-(trifluoromethyl)phenyl]phenyl]acetate
SMILESCNC(C)c1cc(C(F)(F)F)ccc1-c1cc(CC(=O)OC)ccc1OC
InChIInChI=1S/C20H22F3NO3/c1-12(24-2)16-11-14(20(21,22)23)6-7-15(16)17-9-13(10-19(25)27-4)5-8-18(17)26-3/h5-9,11-12,24H,10H2,1-4H3
InChIKeyUHQAXVMWXOSNFK-UHFFFAOYSA-N
XLogP4.38
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.39
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[3-[2-[1-(ethylamino)ethyl]-4-methylphenyl]-4-methoxyphenyl]acetate
CID 58148996
methyl 2-[3-[2-[2-(carbamoylamino)-1-[3-[1-(carbamoylamino)propyl]phenyl]butyl]-4-(trifluoromethyl)phenyl]-4-methoxyphenyl]acetate
CID 90938099
ethyl 2-[3-[2-[[ethyl-[[(1R)-1-(4-methylphenyl)ethyl]carbamoyl]amino]methyl]-4-(trifluoromethyl)phenyl]-4-methoxyphenyl]acetate
CID 70985732
methyl 2-[4-methoxy-3-[2-[(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)methyl]-4-(trifluoromethyl)phenyl]phenyl]acetate
CID 66892278
2-[3-[2-(methanesulfonamidomethyl)-4-(trifluoromethyl)phenyl]-4-methoxyphenyl]acetic acid
CID 68719607
ethyl 2-[3-[2-[2-iodo-1-(pyridin-4-ylmethylcarbamoylamino)propyl]-4-(trifluoromethyl)phenyl]-4-methoxyphenyl]acetate
CID 68632606
methyl 2-[3-[2-[[ethyl-[(2-iodophenyl)methoxycarbonyl]amino]methyl]-4-(trifluoromethyl)phenyl]-4-methoxyphenyl]acetate
CID 70985606
ethyl 2-[3-[2-[(benzylcarbamoylamino)methyl]-4-(trifluoromethyl)phenyl]-4-methoxyphenyl]acetate
CID 66606742
methyl 2-[2-ethoxy-5-(trifluoromethyl)phenyl]acetate
CID 82646434
2-[3-[2-[1-[(4-hydroxyphenyl)methylcarbamoylamino]propyl]-4-(trifluoromethyl)phenyl]-4-methoxyphenyl]acetic acid
CID 66603935
methyl 2-[4-(1-nitrosoethyl)-3-[4-(trifluoromethyl)phenyl]phenyl]acetate
CID 91219656
2-[3-[2-(tert-butylsulfonylmethyl)-4-(trifluoromethyl)phenyl]-4-methoxyphenyl]acetic acid
CID 45280405

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-methoxy-3-[2-[1-(methylamino)ethyl]-4-(trifluoromethyl)phenyl]phenyl]acetate?
The IUPAC name of methyl 2-[4-methoxy-3-[2-[1-(methylamino)ethyl]-4-(trifluoromethyl)phenyl]phenyl]acetate (CID 162543583) is methyl 2-[4-methoxy-3-[2-[1-(methylamino)ethyl]-4-(trifluoromethyl)phenyl]phenyl]acetate.
What is the SMILES notation for methyl 2-[4-methoxy-3-[2-[1-(methylamino)ethyl]-4-(trifluoromethyl)phenyl]phenyl]acetate?
The canonical SMILES for methyl 2-[4-methoxy-3-[2-[1-(methylamino)ethyl]-4-(trifluoromethyl)phenyl]phenyl]acetate is CNC(C)c1cc(C(F)(F)F)ccc1-c1cc(CC(=O)OC)ccc1OC.
What is the InChIKey of methyl 2-[4-methoxy-3-[2-[1-(methylamino)ethyl]-4-(trifluoromethyl)phenyl]phenyl]acetate?
The InChIKey is UHQAXVMWXOSNFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3NO3/c1-12(24-2)16-11-14(20(21,22)23)6-7-15(16)17-9-13(10-19(25)27-4)5-8-18(17)26-3/h5-9,11-12,24H,10H2,1-4H3.
What are the key properties of methyl 2-[4-methoxy-3-[2-[1-(methylamino)ethyl]-4-(trifluoromethyl)phenyl]phenyl]acetate?
methyl 2-[4-methoxy-3-[2-[1-(methylamino)ethyl]-4-(trifluoromethyl)phenyl]phenyl]acetate has a molecular weight of 381.39 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-methoxy-3-[2-[1-(methylamino)ethyl]-4-(trifluoromethyl)phenyl]phenyl]acetate is sourced from PubChem (CID 162543583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).