2-[2-(2-methoxyethoxy)ethoxy]ethyl 2-amino-6-chlorobenzoate

C14H20ClNO5 — CID 104563019

IUPAC2-[2-(2-methoxyethoxy)ethoxy]ethyl 2-amino-6-chlorobenzoate
SMILESCOCCOCCOCCOC(=O)c1c(N)cccc1Cl
InChIInChI=1S/C14H20ClNO5/c1-18-5-6-19-7-8-20-9-10-21-14(17)13-11(15)3-2-4-12(13)16/h2-4H,5-10,16H2,1H3
InChIKeyVLTRTBHAFGSHEB-UHFFFAOYSA-N
MW317.77 g/mol
LogP1.76
Rot. Bonds10

About 2-[2-(2-methoxyethoxy)ethoxy]ethyl 2-amino-6-chlorobenzoate

2-[2-(2-methoxyethoxy)ethoxy]ethyl 2-amino-6-chlorobenzoate (PubChem CID 104563019) has the molecular formula C14H20ClNO5 and a molecular weight of 317.77 g/mol. Its IUPAC name is 2-[2-(2-methoxyethoxy)ethoxy]ethyl 2-amino-6-chlorobenzoate.

Molecular Properties

Compound Name2-[2-(2-methoxyethoxy)ethoxy]ethyl 2-amino-6-chlorobenzoate
PubChem CID104563019
Molecular FormulaC14H20ClNO5
Molecular Weight317.77 g/mol
Exact Mass317.10
IUPAC Name2-[2-(2-methoxyethoxy)ethoxy]ethyl 2-amino-6-chlorobenzoate
SMILESCOCCOCCOCCOC(=O)c1c(N)cccc1Cl
InChIInChI=1S/C14H20ClNO5/c1-18-5-6-19-7-8-20-9-10-21-14(17)13-11(15)3-2-4-12(13)16/h2-4H,5-10,16H2,1H3
InChIKeyVLTRTBHAFGSHEB-UHFFFAOYSA-N
XLogP1.76
TPSA80.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.77
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

2-(3-methylbutoxy)ethyl 2-amino-6-chlorobenzoate
CID 63661136
methoxymethyl 2-amino-6-chlorobenzoate
CID 65364299
2-amino-6-chloro-N-[2-(2-methoxyethoxy)ethyl]benzamide
CID 63660232
[2-(3-methoxypropylamino)-2-oxoethyl] 2-amino-6-chlorobenzoate
CID 63662025
(3-amino-3-oxopropyl) 2-amino-6-chlorobenzoate
CID 63662731
methyl 2-amino-6-chlorobenzoate;hydrochloride
CID 84819290
3-ethylsulfanylpropyl 2-amino-6-chlorobenzoate
CID 115667316
[2-(ethylamino)-2-oxoethyl] 2-amino-6-chlorobenzoate
CID 63662207
3-chloro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]aniline
CID 104560092
(4-ethylphenyl)methyl 2-amino-6-chlorobenzoate
CID 63663287
(2-ethoxy-2-oxoethyl) 2-amino-6-chlorobenzoate
CID 63663104
2-ethoxyethyl 2-amino-6-methoxybenzoate
CID 81414860

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxyethoxy)ethoxy]ethyl 2-amino-6-chlorobenzoate?
The IUPAC name of 2-[2-(2-methoxyethoxy)ethoxy]ethyl 2-amino-6-chlorobenzoate (CID 104563019) is 2-[2-(2-methoxyethoxy)ethoxy]ethyl 2-amino-6-chlorobenzoate.
What is the SMILES notation for 2-[2-(2-methoxyethoxy)ethoxy]ethyl 2-amino-6-chlorobenzoate?
The canonical SMILES for 2-[2-(2-methoxyethoxy)ethoxy]ethyl 2-amino-6-chlorobenzoate is COCCOCCOCCOC(=O)c1c(N)cccc1Cl.
What is the InChIKey of 2-[2-(2-methoxyethoxy)ethoxy]ethyl 2-amino-6-chlorobenzoate?
The InChIKey is VLTRTBHAFGSHEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO5/c1-18-5-6-19-7-8-20-9-10-21-14(17)13-11(15)3-2-4-12(13)16/h2-4H,5-10,16H2,1H3.
What are the key properties of 2-[2-(2-methoxyethoxy)ethoxy]ethyl 2-amino-6-chlorobenzoate?
2-[2-(2-methoxyethoxy)ethoxy]ethyl 2-amino-6-chlorobenzoate has a molecular weight of 317.77 g/mol, XLogP of 1.76, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxyethoxy)ethoxy]ethyl 2-amino-6-chlorobenzoate is sourced from PubChem (CID 104563019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).