ethyl 2-[4-[2-(methylamino)propyl]phenoxy]acetate

C14H21NO3 — CID 113322952

IUPACethyl 2-[4-[2-(methylamino)propyl]phenoxy]acetate
SMILESCCOC(=O)COc1ccc(CC(C)NC)cc1
InChIInChI=1S/C14H21NO3/c1-4-17-14(16)10-18-13-7-5-12(6-8-13)9-11(2)15-3/h5-8,11,15H,4,9-10H2,1-3H3
InChIKeyIFIGNALDGRMNJH-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.78
Rot. Bonds7

About ethyl 2-[4-[2-(methylamino)propyl]phenoxy]acetate

ethyl 2-[4-[2-(methylamino)propyl]phenoxy]acetate (PubChem CID 113322952) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is ethyl 2-[4-[2-(methylamino)propyl]phenoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[4-[2-(methylamino)propyl]phenoxy]acetate
PubChem CID113322952
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Nameethyl 2-[4-[2-(methylamino)propyl]phenoxy]acetate
SMILESCCOC(=O)COc1ccc(CC(C)NC)cc1
InChIInChI=1S/C14H21NO3/c1-4-17-14(16)10-18-13-7-5-12(6-8-13)9-11(2)15-3/h5-8,11,15H,4,9-10H2,1-3H3
InChIKeyIFIGNALDGRMNJH-UHFFFAOYSA-N
XLogP1.78
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[4-[2-(ethylamino)propyl]phenoxy]acetate
CID 115494998
ethyl 2-[4-[2-(propylamino)propyl]phenoxy]acetate
CID 115495172
2-[4-[2-(methylamino)propyl]phenoxy]acetamide
CID 115494731
2-[4-[(2S)-2-(methylamino)propyl]phenoxy]acetic acid
CID 10236117
ethyl 2-[4-[2-(benzenesulfonamido)propyl]phenoxy]acetate
CID 14579356
N-methyl-1-[4-(2-methylidenebutoxy)phenyl]propan-2-amine
CID 115494827
ethyl 4-[2-(methylamino)propyl]benzoate
CID 70900098
N-butyl-2-[4-[2-(methylamino)propyl]phenoxy]acetamide
CID 115494718
ethyl 2-[4-[[(2S)-butan-2-yl]sulfamoyl]phenoxy]acetate
CID 893339
ethyl 2-[4-[2-(methylamino)propyl]phenoxy]pentanoate
CID 83035105
ethyl 2-[4-[(2R)-2-[[(6R)-6-ethyl-1-hydroxycyclohexa-2,4-dien-1-yl]amino]propyl]phenoxy]acetate
CID 67933158
propyl 2-[4-(2-ethoxy-2-oxoethoxy)phenyl]acetate
CID 14856730

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-[2-(methylamino)propyl]phenoxy]acetate?
The IUPAC name of ethyl 2-[4-[2-(methylamino)propyl]phenoxy]acetate (CID 113322952) is ethyl 2-[4-[2-(methylamino)propyl]phenoxy]acetate.
What is the SMILES notation for ethyl 2-[4-[2-(methylamino)propyl]phenoxy]acetate?
The canonical SMILES for ethyl 2-[4-[2-(methylamino)propyl]phenoxy]acetate is CCOC(=O)COc1ccc(CC(C)NC)cc1.
What is the InChIKey of ethyl 2-[4-[2-(methylamino)propyl]phenoxy]acetate?
The InChIKey is IFIGNALDGRMNJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-4-17-14(16)10-18-13-7-5-12(6-8-13)9-11(2)15-3/h5-8,11,15H,4,9-10H2,1-3H3.
What are the key properties of ethyl 2-[4-[2-(methylamino)propyl]phenoxy]acetate?
ethyl 2-[4-[2-(methylamino)propyl]phenoxy]acetate has a molecular weight of 251.33 g/mol, XLogP of 1.78, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-[2-(methylamino)propyl]phenoxy]acetate is sourced from PubChem (CID 113322952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).