3-(2-methoxyethoxy)propyl 4-amino-2-methylbenzoate

C14H21NO4 — CID 103403389

IUPAC3-(2-methoxyethoxy)propyl 4-amino-2-methylbenzoate
SMILESCOCCOCCCOC(=O)c1ccc(N)cc1C
InChIInChI=1S/C14H21NO4/c1-11-10-12(15)4-5-13(11)14(16)19-7-3-6-18-9-8-17-2/h4-5,10H,3,6-9,15H2,1-2H3
InChIKeyOAEJWSFEUCAKFW-UHFFFAOYSA-N
MW267.32 g/mol
LogP1.79
Rot. Bonds8

About 3-(2-methoxyethoxy)propyl 4-amino-2-methylbenzoate

3-(2-methoxyethoxy)propyl 4-amino-2-methylbenzoate (PubChem CID 103403389) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is 3-(2-methoxyethoxy)propyl 4-amino-2-methylbenzoate.

Molecular Properties

Compound Name3-(2-methoxyethoxy)propyl 4-amino-2-methylbenzoate
PubChem CID103403389
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC Name3-(2-methoxyethoxy)propyl 4-amino-2-methylbenzoate
SMILESCOCCOCCCOC(=O)c1ccc(N)cc1C
InChIInChI=1S/C14H21NO4/c1-11-10-12(15)4-5-13(11)14(16)19-7-3-6-18-9-8-17-2/h4-5,10H,3,6-9,15H2,1-2H3
InChIKeyOAEJWSFEUCAKFW-UHFFFAOYSA-N
XLogP1.79
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

butyl 4-amino-2-methylbenzoate
CID 45089758
2-(3-methoxypropoxy)ethyl 4-amino-2-chlorobenzoate
CID 103178455
2-(3-methoxypropoxy)ethyl 4-amino-2-methoxybenzoate
CID 103179269
3-(2-methoxyethoxy)propyl 2-amino-3,5-dimethylbenzoate
CID 103403066
2-(3-methoxypropoxy)ethyl 5-amino-2,4-dimethylbenzoate
CID 103179344
3-(2-methoxyethoxy)propyl 2-fluoro-3-methylbenzoate
CID 103407273
3-(2-methoxyethoxy)propyl 2-amino-5-iodobenzoate
CID 103403140
3-ethoxypropyl 4-amino-2-chlorobenzoate
CID 65180615
3-(2-methoxyethoxy)propyl 3-amino-4-fluorobenzoate
CID 103403556
4-amino-N-[2-(2-aminoethoxy)ethyl]-2-methylbenzamide
CID 167303302
3-(2-methoxyethoxy)propyl 2,6-dichloropyridine-3-carboxylate
CID 106994631
3-(2-methoxyethoxy)propyl 4-amino-3-bromobenzoate
CID 103403309

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethoxy)propyl 4-amino-2-methylbenzoate?
The IUPAC name of 3-(2-methoxyethoxy)propyl 4-amino-2-methylbenzoate (CID 103403389) is 3-(2-methoxyethoxy)propyl 4-amino-2-methylbenzoate.
What is the SMILES notation for 3-(2-methoxyethoxy)propyl 4-amino-2-methylbenzoate?
The canonical SMILES for 3-(2-methoxyethoxy)propyl 4-amino-2-methylbenzoate is COCCOCCCOC(=O)c1ccc(N)cc1C.
What is the InChIKey of 3-(2-methoxyethoxy)propyl 4-amino-2-methylbenzoate?
The InChIKey is OAEJWSFEUCAKFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4/c1-11-10-12(15)4-5-13(11)14(16)19-7-3-6-18-9-8-17-2/h4-5,10H,3,6-9,15H2,1-2H3.
What are the key properties of 3-(2-methoxyethoxy)propyl 4-amino-2-methylbenzoate?
3-(2-methoxyethoxy)propyl 4-amino-2-methylbenzoate has a molecular weight of 267.32 g/mol, XLogP of 1.79, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethoxy)propyl 4-amino-2-methylbenzoate is sourced from PubChem (CID 103403389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).