methyl 2-[2-[2-(methylamino)ethoxy]phenyl]acetate

C12H17NO3 — CID 117054245

IUPACmethyl 2-[2-[2-(methylamino)ethoxy]phenyl]acetate
SMILESCNCCOc1ccccc1CC(=O)OC
InChIInChI=1S/C12H17NO3/c1-13-7-8-16-11-6-4-3-5-10(11)9-12(14)15-2/h3-6,13H,7-9H2,1-2H3
InChIKeyLWLYOMGUOSUJKI-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.00
Rot. Bonds6

About methyl 2-[2-[2-(methylamino)ethoxy]phenyl]acetate

methyl 2-[2-[2-(methylamino)ethoxy]phenyl]acetate (PubChem CID 117054245) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is methyl 2-[2-[2-(methylamino)ethoxy]phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-[2-(methylamino)ethoxy]phenyl]acetate
PubChem CID117054245
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Namemethyl 2-[2-[2-(methylamino)ethoxy]phenyl]acetate
SMILESCNCCOc1ccccc1CC(=O)OC
InChIInChI=1S/C12H17NO3/c1-13-7-8-16-11-6-4-3-5-10(11)9-12(14)15-2/h3-6,13H,7-9H2,1-2H3
InChIKeyLWLYOMGUOSUJKI-UHFFFAOYSA-N
XLogP1.00
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-ethylphenoxy)-N-methylethanamine;hydrochloride
CID 44665206
methyl 2-(2-octoxyphenyl)acetate
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2-(2-benzylphenoxy)-N-methylethanamine
CID 12660328
2-(2-methoxyphenoxy)-N-methylethanamine;hydrochloride
CID 19749083
3-methoxypropyl 2-[2-(3-methoxypropoxy)phenyl]acetate
CID 58005998
5-(2-ethylphenoxy)-N-methylpentan-1-amine
CID 62486252
methyl 2-(2-methylsulfonyloxyphenyl)acetate
CID 140986015
methyl 3-(2-butoxyphenyl)-2-oxopropanoate
CID 82161313
tert-butyl N-[3-[2-(methylaminomethyl)phenoxy]propyl]carbamate
CID 123160691
methyl 2-[2-[[(2S)-2-methyloxiran-2-yl]methoxy]phenyl]acetate
CID 86640557
methyl 2-[2-(1H-pyrrol-2-ylmethoxy)phenyl]acetate
CID 117054272
methyl 3-[2-[(2-methoxyethylamino)methyl]phenoxy]propanoate
CID 63949511

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[2-(methylamino)ethoxy]phenyl]acetate?
The IUPAC name of methyl 2-[2-[2-(methylamino)ethoxy]phenyl]acetate (CID 117054245) is methyl 2-[2-[2-(methylamino)ethoxy]phenyl]acetate.
What is the SMILES notation for methyl 2-[2-[2-(methylamino)ethoxy]phenyl]acetate?
The canonical SMILES for methyl 2-[2-[2-(methylamino)ethoxy]phenyl]acetate is CNCCOc1ccccc1CC(=O)OC.
What is the InChIKey of methyl 2-[2-[2-(methylamino)ethoxy]phenyl]acetate?
The InChIKey is LWLYOMGUOSUJKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-13-7-8-16-11-6-4-3-5-10(11)9-12(14)15-2/h3-6,13H,7-9H2,1-2H3.
What are the key properties of methyl 2-[2-[2-(methylamino)ethoxy]phenyl]acetate?
methyl 2-[2-[2-(methylamino)ethoxy]phenyl]acetate has a molecular weight of 223.27 g/mol, XLogP of 1.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[2-(methylamino)ethoxy]phenyl]acetate is sourced from PubChem (CID 117054245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).