2-(3-methoxypropoxy)ethyl 4-(aminomethyl)benzoate

C14H21NO4 — CID 103178437

IUPAC2-(3-methoxypropoxy)ethyl 4-(aminomethyl)benzoate
SMILESCOCCCOCCOC(=O)c1ccc(CN)cc1
InChIInChI=1S/C14H21NO4/c1-17-7-2-8-18-9-10-19-14(16)13-5-3-12(11-15)4-6-13/h3-6H,2,7-11,15H2,1H3
InChIKeyGAYCKRIKZRXPQZ-UHFFFAOYSA-N
MW267.32 g/mol
LogP1.36
Rot. Bonds9

About 2-(3-methoxypropoxy)ethyl 4-(aminomethyl)benzoate

2-(3-methoxypropoxy)ethyl 4-(aminomethyl)benzoate (PubChem CID 103178437) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is 2-(3-methoxypropoxy)ethyl 4-(aminomethyl)benzoate.

Molecular Properties

Compound Name2-(3-methoxypropoxy)ethyl 4-(aminomethyl)benzoate
PubChem CID103178437
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC Name2-(3-methoxypropoxy)ethyl 4-(aminomethyl)benzoate
SMILESCOCCCOCCOC(=O)c1ccc(CN)cc1
InChIInChI=1S/C14H21NO4/c1-17-7-2-8-18-9-10-19-14(16)13-5-3-12(11-15)4-6-13/h3-6H,2,7-11,15H2,1H3
InChIKeyGAYCKRIKZRXPQZ-UHFFFAOYSA-N
XLogP1.36
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2-methoxyethoxy)ethoxy]ethyl 3-(aminomethyl)benzoate
CID 104563130
2-(2-methoxyethoxy)ethyl 4-(methylperoxymethyl)benzoate
CID 59927733
2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 4-hydroxybenzoate
CID 158057497
2-(3-methoxypropoxy)ethyl 4-amino-3-chlorobenzoate
CID 103178284
methyl 4-(aminomethyl)benzoate;molecular hydrogen
CID 143345470
2-hexoxyethyl 4-butylbenzoate
CID 140608518
2-octoxyethyl 4-butylbenzoate
CID 140608616
ethyl 4-[3-(2-methoxyethoxy)propoxy]benzoate
CID 103408920
3-(2-methoxyethoxy)propyl 4-amino-3-bromobenzoate
CID 103403309
3-methoxypropyl 4-sulfanylbenzoate
CID 107018239
4-methoxybutyl 4-acetylbenzoate;2-methoxyethyl 4-acetylbenzoate
CID 158601730
2-[2-(4-methoxybenzoyl)oxyethoxy]ethyl 4-methoxybenzoate
CID 154279201

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxypropoxy)ethyl 4-(aminomethyl)benzoate?
The IUPAC name of 2-(3-methoxypropoxy)ethyl 4-(aminomethyl)benzoate (CID 103178437) is 2-(3-methoxypropoxy)ethyl 4-(aminomethyl)benzoate.
What is the SMILES notation for 2-(3-methoxypropoxy)ethyl 4-(aminomethyl)benzoate?
The canonical SMILES for 2-(3-methoxypropoxy)ethyl 4-(aminomethyl)benzoate is COCCCOCCOC(=O)c1ccc(CN)cc1.
What is the InChIKey of 2-(3-methoxypropoxy)ethyl 4-(aminomethyl)benzoate?
The InChIKey is GAYCKRIKZRXPQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4/c1-17-7-2-8-18-9-10-19-14(16)13-5-3-12(11-15)4-6-13/h3-6H,2,7-11,15H2,1H3.
What are the key properties of 2-(3-methoxypropoxy)ethyl 4-(aminomethyl)benzoate?
2-(3-methoxypropoxy)ethyl 4-(aminomethyl)benzoate has a molecular weight of 267.32 g/mol, XLogP of 1.36, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxypropoxy)ethyl 4-(aminomethyl)benzoate is sourced from PubChem (CID 103178437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).