methyl 2-[4-[2-[2-(3-chlorophenyl)ethylamino]propyl]phenoxy]acetate

C20H24ClNO3 — CID 54061917

IUPACmethyl 2-[4-[2-[2-(3-chlorophenyl)ethylamino]propyl]phenoxy]acetate
SMILESCOC(=O)COc1ccc(CC(C)NCCc2cccc(Cl)c2)cc1
InChIInChI=1S/C20H24ClNO3/c1-15(22-11-10-16-4-3-5-18(21)13-16)12-17-6-8-19(9-7-17)25-14-20(23)24-2/h3-9,13,15,22H,10-12,14H2,1-2H3
InChIKeyMAHYTHJMETZQTM-UHFFFAOYSA-N
MW361.87 g/mol
LogP3.66
Rot. Bonds9

About methyl 2-[4-[2-[2-(3-chlorophenyl)ethylamino]propyl]phenoxy]acetate

methyl 2-[4-[2-[2-(3-chlorophenyl)ethylamino]propyl]phenoxy]acetate (PubChem CID 54061917) has the molecular formula C20H24ClNO3 and a molecular weight of 361.87 g/mol. Its IUPAC name is methyl 2-[4-[2-[2-(3-chlorophenyl)ethylamino]propyl]phenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[2-[2-(3-chlorophenyl)ethylamino]propyl]phenoxy]acetate
PubChem CID54061917
Molecular FormulaC20H24ClNO3
Molecular Weight361.87 g/mol
Exact Mass361.14
IUPAC Namemethyl 2-[4-[2-[2-(3-chlorophenyl)ethylamino]propyl]phenoxy]acetate
SMILESCOC(=O)COc1ccc(CC(C)NCCc2cccc(Cl)c2)cc1
InChIInChI=1S/C20H24ClNO3/c1-15(22-11-10-16-4-3-5-18(21)13-16)12-17-6-8-19(9-7-17)25-14-20(23)24-2/h3-9,13,15,22H,10-12,14H2,1-2H3
InChIKeyMAHYTHJMETZQTM-UHFFFAOYSA-N
XLogP3.66
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.87
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[4-[2-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]phenoxy]acetate;hydrobromide
CID 6918146
[4-[4-[2-[2-(3-chlorophenyl)ethylamino]propyl]benzoyl]piperazin-1-yl]-[4-[2-[2-(3-chlorophenyl)ethylamino]propyl]phenyl]methanone
CID 44533762
(2S)-N-[2-(3-chlorophenyl)ethyl]-1-(3,4-dimethoxyphenyl)propan-2-amine
CID 7446049
methyl 2-[4-[2-[[2-(3-chlorophenyl)-2-hexoxyethyl]amino]propyl]phenoxy]acetate
CID 54032734
methyl 2-[4-[2-[[2-(3-chlorophenyl)-2-(dimethylamino)ethyl]-methylamino]propyl]phenoxy]acetate
CID 21276519
[2-[2-(3-chlorophenyl)ethylamino]-2-oxoethyl] 2-(4-chlorophenoxy)acetate
CID 9229427
2-(4-chlorophenoxy)-N-[2-(3-chlorophenyl)ethyl]acetamide
CID 1370971
methyl 2-[3-[2-(methylamino)ethyl]phenoxy]acetate
CID 59419918
methyl 2-[4-[2-[benzyl-[2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]phenoxy]acetate;hydrochloride
CID 21276521
methyl 2-[4-[(2R)-2-[[(2R)-2-hydroxy-2-phenylethyl]amino]propyl]phenoxy]acetate
CID 154281922
methyl 2-[4-[2-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]propyl]phenoxy]acetate
CID 67905669
[2-[2-(3-chlorophenyl)ethylamino]-2-oxoethyl] 2-(4-acetylphenoxy)acetate
CID 8806352

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[2-[2-(3-chlorophenyl)ethylamino]propyl]phenoxy]acetate?
The IUPAC name of methyl 2-[4-[2-[2-(3-chlorophenyl)ethylamino]propyl]phenoxy]acetate (CID 54061917) is methyl 2-[4-[2-[2-(3-chlorophenyl)ethylamino]propyl]phenoxy]acetate.
What is the SMILES notation for methyl 2-[4-[2-[2-(3-chlorophenyl)ethylamino]propyl]phenoxy]acetate?
The canonical SMILES for methyl 2-[4-[2-[2-(3-chlorophenyl)ethylamino]propyl]phenoxy]acetate is COC(=O)COc1ccc(CC(C)NCCc2cccc(Cl)c2)cc1.
What is the InChIKey of methyl 2-[4-[2-[2-(3-chlorophenyl)ethylamino]propyl]phenoxy]acetate?
The InChIKey is MAHYTHJMETZQTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClNO3/c1-15(22-11-10-16-4-3-5-18(21)13-16)12-17-6-8-19(9-7-17)25-14-20(23)24-2/h3-9,13,15,22H,10-12,14H2,1-2H3.
What are the key properties of methyl 2-[4-[2-[2-(3-chlorophenyl)ethylamino]propyl]phenoxy]acetate?
methyl 2-[4-[2-[2-(3-chlorophenyl)ethylamino]propyl]phenoxy]acetate has a molecular weight of 361.87 g/mol, XLogP of 3.66, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[2-[2-(3-chlorophenyl)ethylamino]propyl]phenoxy]acetate is sourced from PubChem (CID 54061917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).