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

C14H21NO3 — CID 20820636

IUPACmethyl 2-[4-[3-(dimethylamino)propyl]phenoxy]acetate
SMILESCOC(=O)COc1ccc(CCCN(C)C)cc1
InChIInChI=1S/C14H21NO3/c1-15(2)10-4-5-12-6-8-13(9-7-12)18-11-14(16)17-3/h6-9H,4-5,10-11H2,1-3H3
InChIKeyRSJDULGDBXSNTO-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.73
Rot. Bonds7

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

methyl 2-[4-[3-(dimethylamino)propyl]phenoxy]acetate (PubChem CID 20820636) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is methyl 2-[4-[3-(dimethylamino)propyl]phenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[3-(dimethylamino)propyl]phenoxy]acetate
PubChem CID20820636
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Namemethyl 2-[4-[3-(dimethylamino)propyl]phenoxy]acetate
SMILESCOC(=O)COc1ccc(CCCN(C)C)cc1
InChIInChI=1S/C14H21NO3/c1-15(2)10-4-5-12-6-8-13(9-7-12)18-11-14(16)17-3/h6-9H,4-5,10-11H2,1-3H3
InChIKeyRSJDULGDBXSNTO-UHFFFAOYSA-N
XLogP1.73
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(4-propylphenoxy)acetate
CID 19911850
methyl 2-[4-(2-aminoethyl)phenoxy]acetate
CID 15674417
methyl 2-[4-(iodomethyl)phenoxy]acetate
CID 89385998
methyl 2-[4-[bis(2-hydroxyethyl)amino]phenoxy]acetate
CID 22096865
3-(dimethylamino)propyl 2-(4-methoxyphenoxy)acetate;hydrochloride
CID 2928947
3-[4-[3-(dimethylamino)propoxy]phenyl]propanoic acid
CID 20986252
3-(4-heptoxyphenyl)-N,N-dimethylpropan-1-amine
CID 170865649
methyl 2-(4-sulfanylphenoxy)acetate
CID 20770833
methyl 2-(4-fluorophenoxy)acetate
CID 580550
methyl 3-[4-(2-butoxy-2-oxoethoxy)phenyl]propanoate
CID 143068523
methyl 2-[4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]phenoxy]acetate
CID 59456133
methyl 2-[4-(dimethylsulfamoyl)phenoxy]acetate
CID 47215115

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[3-(dimethylamino)propyl]phenoxy]acetate?
The IUPAC name of methyl 2-[4-[3-(dimethylamino)propyl]phenoxy]acetate (CID 20820636) is methyl 2-[4-[3-(dimethylamino)propyl]phenoxy]acetate.
What is the SMILES notation for methyl 2-[4-[3-(dimethylamino)propyl]phenoxy]acetate?
The canonical SMILES for methyl 2-[4-[3-(dimethylamino)propyl]phenoxy]acetate is COC(=O)COc1ccc(CCCN(C)C)cc1.
What is the InChIKey of methyl 2-[4-[3-(dimethylamino)propyl]phenoxy]acetate?
The InChIKey is RSJDULGDBXSNTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-15(2)10-4-5-12-6-8-13(9-7-12)18-11-14(16)17-3/h6-9H,4-5,10-11H2,1-3H3.
What are the key properties of methyl 2-[4-[3-(dimethylamino)propyl]phenoxy]acetate?
methyl 2-[4-[3-(dimethylamino)propyl]phenoxy]acetate has a molecular weight of 251.33 g/mol, XLogP of 1.73, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[3-(dimethylamino)propyl]phenoxy]acetate is sourced from PubChem (CID 20820636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).