methyl 2-[3-[3-(dimethylamino)propoxy]phenyl]acetate

C14H21NO3 — CID 153300961

IUPACmethyl 2-[3-[3-(dimethylamino)propoxy]phenyl]acetate
SMILESCOC(=O)Cc1cccc(OCCCN(C)C)c1
InChIInChI=1S/C14H21NO3/c1-15(2)8-5-9-18-13-7-4-6-12(10-13)11-14(16)17-3/h4,6-7,10H,5,8-9,11H2,1-3H3
InChIKeyMBTRFSWHNYTOGP-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.73
Rot. Bonds7

About methyl 2-[3-[3-(dimethylamino)propoxy]phenyl]acetate

methyl 2-[3-[3-(dimethylamino)propoxy]phenyl]acetate (PubChem CID 153300961) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is methyl 2-[3-[3-(dimethylamino)propoxy]phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[3-[3-(dimethylamino)propoxy]phenyl]acetate
PubChem CID153300961
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Namemethyl 2-[3-[3-(dimethylamino)propoxy]phenyl]acetate
SMILESCOC(=O)Cc1cccc(OCCCN(C)C)c1
InChIInChI=1S/C14H21NO3/c1-15(2)8-5-9-18-13-7-4-6-12(10-13)11-14(16)17-3/h4,6-7,10H,5,8-9,11H2,1-3H3
InChIKeyMBTRFSWHNYTOGP-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[3-(2-hydroxyethoxy)phenyl]acetate
CID 134821202
3-(3-methoxyphenoxy)-N,N-dimethylpropan-1-amine;oxalic acid
CID 2935713
N-[3-[3-(dimethylamino)propoxy]phenyl]acetamide
CID 71811695
3-[3-[2-(dimethylamino)ethoxy]phenyl]-N,N-dimethylpropan-1-amine
CID 170866732
methyl 2-[3-[3-[2,2-diphenylethyl-[(4-methoxyphenyl)methyl]amino]propoxy]phenyl]acetate
CID 10165098
methyl 2-[3-[2-(1,3-dioxoisoindol-2-yl)ethoxy]phenyl]acetate
CID 14917019
methyl 6-[3-[2-(diethylamino)-2-oxoethyl]phenoxy]hexanoate
CID 91465715
2-[3-[3-(dimethylamino)propyl]phenoxy]ethanol
CID 170866152
methyl 2-[3-[3-(4-phenoxy-2-propylphenoxy)propoxy]phenyl]acetate
CID 22459062
N-[(2S)-2-(2,6-dichlorophenyl)-2-hydroxyethyl]-2-[3-[2-(dimethylamino)ethoxy]phenyl]acetamide
CID 99787158
CID 58539714
CID 58539714
methyl 2-[3-[4-[4-(4-methoxyphenoxy)-2-propylphenoxy]butoxy]phenyl]acetate
CID 22458910

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-[3-(dimethylamino)propoxy]phenyl]acetate?
The IUPAC name of methyl 2-[3-[3-(dimethylamino)propoxy]phenyl]acetate (CID 153300961) is methyl 2-[3-[3-(dimethylamino)propoxy]phenyl]acetate.
What is the SMILES notation for methyl 2-[3-[3-(dimethylamino)propoxy]phenyl]acetate?
The canonical SMILES for methyl 2-[3-[3-(dimethylamino)propoxy]phenyl]acetate is COC(=O)Cc1cccc(OCCCN(C)C)c1.
What is the InChIKey of methyl 2-[3-[3-(dimethylamino)propoxy]phenyl]acetate?
The InChIKey is MBTRFSWHNYTOGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-15(2)8-5-9-18-13-7-4-6-12(10-13)11-14(16)17-3/h4,6-7,10H,5,8-9,11H2,1-3H3.
What are the key properties of methyl 2-[3-[3-(dimethylamino)propoxy]phenyl]acetate?
methyl 2-[3-[3-(dimethylamino)propoxy]phenyl]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-[3-[3-(dimethylamino)propoxy]phenyl]acetate is sourced from PubChem (CID 153300961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).