methyl 2-[4-(diethylaminomethyl)phenyl]acetate

C14H21NO2 — CID 125041894

IUPACmethyl 2-[4-(diethylaminomethyl)phenyl]acetate
SMILESCCN(CC)Cc1ccc(CC(=O)OC)cc1
InChIInChI=1S/C14H21NO2/c1-4-15(5-2)11-13-8-6-12(7-9-13)10-14(16)17-3/h6-9H,4-5,10-11H2,1-3H3
InChIKeyIJKMAYBBTVYBLV-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.24
Rot. Bonds6

About methyl 2-[4-(diethylaminomethyl)phenyl]acetate

methyl 2-[4-(diethylaminomethyl)phenyl]acetate (PubChem CID 125041894) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is methyl 2-[4-(diethylaminomethyl)phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(diethylaminomethyl)phenyl]acetate
PubChem CID125041894
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Namemethyl 2-[4-(diethylaminomethyl)phenyl]acetate
SMILESCCN(CC)Cc1ccc(CC(=O)OC)cc1
InChIInChI=1S/C14H21NO2/c1-4-15(5-2)11-13-8-6-12(7-9-13)10-14(16)17-3/h6-9H,4-5,10-11H2,1-3H3
InChIKeyIJKMAYBBTVYBLV-UHFFFAOYSA-N
XLogP2.24
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[ethyl-[(4-iodophenyl)methyl]amino]acetate
CID 65477944
methyl 3-[ethyl-[[4-(hydroxymethyl)phenyl]methyl]amino]propanoate
CID 110008646
methyl 2-[4-(tritiomethyl)phenyl]acetate
CID 140891676
methyl 2-[4-(4-ethylphenyl)phenyl]acetate
CID 20610301
methyl 2-[4-(diethylaminomethyl)phenyl]-2-hydroxyacetate
CID 117381834
ethane;methyl 2-(4-methylsulfanylphenyl)acetate
CID 144684310
methyl 2-(4-butylphenyl)acetate
CID 10442975
methyl 2-(4-chlorosulfanylphenyl)acetate
CID 143520088
methyl 4-[(4-aminophenyl)methyl-ethylamino]butanoate
CID 43383874
methyl 2-[4-[[2-methylpropyl(propan-2-yl)amino]methyl]phenyl]acetate
CID 23540454
methyl 2-[4-(methylaminomethyl)phenyl]acetate
CID 23594251
sodium 4-(2-methoxy-2-oxoethyl)phenolate
CID 70152543

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(diethylaminomethyl)phenyl]acetate?
The IUPAC name of methyl 2-[4-(diethylaminomethyl)phenyl]acetate (CID 125041894) is methyl 2-[4-(diethylaminomethyl)phenyl]acetate.
What is the SMILES notation for methyl 2-[4-(diethylaminomethyl)phenyl]acetate?
The canonical SMILES for methyl 2-[4-(diethylaminomethyl)phenyl]acetate is CCN(CC)Cc1ccc(CC(=O)OC)cc1.
What is the InChIKey of methyl 2-[4-(diethylaminomethyl)phenyl]acetate?
The InChIKey is IJKMAYBBTVYBLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-4-15(5-2)11-13-8-6-12(7-9-13)10-14(16)17-3/h6-9H,4-5,10-11H2,1-3H3.
What are the key properties of methyl 2-[4-(diethylaminomethyl)phenyl]acetate?
methyl 2-[4-(diethylaminomethyl)phenyl]acetate has a molecular weight of 235.33 g/mol, XLogP of 2.24, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(diethylaminomethyl)phenyl]acetate is sourced from PubChem (CID 125041894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).