3-(2-methoxyethoxy)propyl 2-[2-(aminomethyl)phenyl]acetate

C15H23NO4 — CID 103403216

IUPAC3-(2-methoxyethoxy)propyl 2-[2-(aminomethyl)phenyl]acetate
SMILESCOCCOCCCOC(=O)Cc1ccccc1CN
InChIInChI=1S/C15H23NO4/c1-18-9-10-19-7-4-8-20-15(17)11-13-5-2-3-6-14(13)12-16/h2-3,5-6H,4,7-12,16H2,1H3
InChIKeyVHNPDNFWMGLTHQ-UHFFFAOYSA-N
MW281.35 g/mol
LogP1.28
Rot. Bonds10

About 3-(2-methoxyethoxy)propyl 2-[2-(aminomethyl)phenyl]acetate

3-(2-methoxyethoxy)propyl 2-[2-(aminomethyl)phenyl]acetate (PubChem CID 103403216) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is 3-(2-methoxyethoxy)propyl 2-[2-(aminomethyl)phenyl]acetate.

Molecular Properties

Compound Name3-(2-methoxyethoxy)propyl 2-[2-(aminomethyl)phenyl]acetate
PubChem CID103403216
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Name3-(2-methoxyethoxy)propyl 2-[2-(aminomethyl)phenyl]acetate
SMILESCOCCOCCCOC(=O)Cc1ccccc1CN
InChIInChI=1S/C15H23NO4/c1-18-9-10-19-7-4-8-20-15(17)11-13-5-2-3-6-14(13)12-16/h2-3,5-6H,4,7-12,16H2,1H3
InChIKeyVHNPDNFWMGLTHQ-UHFFFAOYSA-N
XLogP1.28
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-(2-methoxyethoxy)propyl 2-[2-(aminomethyl)phenyl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-[2-(3-methoxypropoxy)ethoxymethyl]phenyl]methanamine
CID 103177032
3-(2-methoxyethoxy)propyl 3-(2-aminophenyl)propanoate
CID 107273933
3-methoxypropyl 2-[2-(3-methoxypropoxy)phenyl]acetate
CID 58005998
2-methoxyethyl 2-(2-methylphenyl)acetate
CID 78830183
3-trimethoxysilylpropyl 2-(2-methylphenyl)acetate
CID 140788680
[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methanamine
CID 104559788
4-O-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl] 1-O-(3-phenylmethoxypropyl) butanedioate
CID 88976024
2-[2-(2-methoxyethoxy)ethoxy]ethyl 2-(4-aminophenyl)acetate
CID 104563048
2-[2-(aminomethyl)phenyl]-N-(3-ethoxypropyl)acetamide
CID 81318083
3-(2-naphthalen-1-ylacetyl)oxypropyl 2-naphthalen-1-ylacetate
CID 7503589
3-methoxypropyl 2-(4-sulfanylphenyl)acetate
CID 107018241
(3S)-3-amino-1-[2-(aminomethyl)phenyl]-4-methoxybutan-2-one
CID 91665904

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethoxy)propyl 2-[2-(aminomethyl)phenyl]acetate?
The IUPAC name of 3-(2-methoxyethoxy)propyl 2-[2-(aminomethyl)phenyl]acetate (CID 103403216) is 3-(2-methoxyethoxy)propyl 2-[2-(aminomethyl)phenyl]acetate.
What is the SMILES notation for 3-(2-methoxyethoxy)propyl 2-[2-(aminomethyl)phenyl]acetate?
The canonical SMILES for 3-(2-methoxyethoxy)propyl 2-[2-(aminomethyl)phenyl]acetate is COCCOCCCOC(=O)Cc1ccccc1CN.
What is the InChIKey of 3-(2-methoxyethoxy)propyl 2-[2-(aminomethyl)phenyl]acetate?
The InChIKey is VHNPDNFWMGLTHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4/c1-18-9-10-19-7-4-8-20-15(17)11-13-5-2-3-6-14(13)12-16/h2-3,5-6H,4,7-12,16H2,1H3.
What are the key properties of 3-(2-methoxyethoxy)propyl 2-[2-(aminomethyl)phenyl]acetate?
3-(2-methoxyethoxy)propyl 2-[2-(aminomethyl)phenyl]acetate has a molecular weight of 281.35 g/mol, XLogP of 1.28, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethoxy)propyl 2-[2-(aminomethyl)phenyl]acetate is sourced from PubChem (CID 103403216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).