2-(2-aminoethoxy)ethyl 3,6-dichloro-2-methoxybenzoate

C12H15Cl2NO4 — CID 68783214

IUPAC2-(2-aminoethoxy)ethyl 3,6-dichloro-2-methoxybenzoate
SMILESCOc1c(Cl)ccc(Cl)c1C(=O)OCCOCCN
InChIInChI=1S/C12H15Cl2NO4/c1-17-11-9(14)3-2-8(13)10(11)12(16)19-7-6-18-5-4-15/h2-3H,4-7,15H2,1H3
InChIKeyWDNQXSDGXPVMQT-UHFFFAOYSA-N
MW308.16 g/mol
LogP2.13
Rot. Bonds7

About 2-(2-aminoethoxy)ethyl 3,6-dichloro-2-methoxybenzoate

2-(2-aminoethoxy)ethyl 3,6-dichloro-2-methoxybenzoate (PubChem CID 68783214) has the molecular formula C12H15Cl2NO4 and a molecular weight of 308.16 g/mol. Its IUPAC name is 2-(2-aminoethoxy)ethyl 3,6-dichloro-2-methoxybenzoate.

Molecular Properties

Compound Name2-(2-aminoethoxy)ethyl 3,6-dichloro-2-methoxybenzoate
PubChem CID68783214
Molecular FormulaC12H15Cl2NO4
Molecular Weight308.16 g/mol
Exact Mass307.04
IUPAC Name2-(2-aminoethoxy)ethyl 3,6-dichloro-2-methoxybenzoate
SMILESCOc1c(Cl)ccc(Cl)c1C(=O)OCCOCCN
InChIInChI=1S/C12H15Cl2NO4/c1-17-11-9(14)3-2-8(13)10(11)12(16)19-7-6-18-5-4-15/h2-3H,4-7,15H2,1H3
InChIKeyWDNQXSDGXPVMQT-UHFFFAOYSA-N
XLogP2.13
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.16
LogP ≤ 52.13
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-aminoethyl 3,6-dichloro-2-methoxybenzoate;hydrochloride
CID 169177858
2-[2-(dimethylamino)ethoxy]ethyl 3,6-dichloro-2-methoxybenzoate
CID 166995748
2-[2-(2-methoxyethoxy)ethoxy]ethyl 2-amino-6-chlorobenzoate
CID 104563019
2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl 2,5-dichlorobenzoate
CID 101066319
1-(3,6-dichloro-2-methoxyphenyl)propan-1-one
CID 123946716
carbonic acid;3,6-dichloro-2-methoxybenzoic acid
CID 175112629
2-ethoxyethyl 3-[(3,6-dichloro-2-methoxybenzoyl)amino]benzoate
CID 19171904
2-[2-[2-(2,4-dichlorophenoxy)acetyl]oxyethyl-methylamino]ethyl 3,6-dichloro-2-methoxybenzoate
CID 169177801
azanium 3,6-dichloro-2-methoxybenzoate
CID 67127214
2-(2-aminoethylamino)ethanol;3,6-dichloro-2-methoxybenzoic acid
CID 51030995
chloromethane;3,6-dichloro-2-methoxybenzoyl chloride;2-(2-nitrophenyl)ethanol;2-(2-nitrophenyl)ethyl 3,6-dichloro-2-methoxybenzoate
CID 158413701
[2-[N-[1,2-bis[(3,6-dichloro-2-methoxybenzoyl)oxy]ethyl]anilino]-2-(3,6-dichloro-2-methoxybenzoyl)oxyethyl] 3,6-dichloro-2-methoxybenzoate
CID 23621110

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethoxy)ethyl 3,6-dichloro-2-methoxybenzoate?
The IUPAC name of 2-(2-aminoethoxy)ethyl 3,6-dichloro-2-methoxybenzoate (CID 68783214) is 2-(2-aminoethoxy)ethyl 3,6-dichloro-2-methoxybenzoate.
What is the SMILES notation for 2-(2-aminoethoxy)ethyl 3,6-dichloro-2-methoxybenzoate?
The canonical SMILES for 2-(2-aminoethoxy)ethyl 3,6-dichloro-2-methoxybenzoate is COc1c(Cl)ccc(Cl)c1C(=O)OCCOCCN.
What is the InChIKey of 2-(2-aminoethoxy)ethyl 3,6-dichloro-2-methoxybenzoate?
The InChIKey is WDNQXSDGXPVMQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2NO4/c1-17-11-9(14)3-2-8(13)10(11)12(16)19-7-6-18-5-4-15/h2-3H,4-7,15H2,1H3.
What are the key properties of 2-(2-aminoethoxy)ethyl 3,6-dichloro-2-methoxybenzoate?
2-(2-aminoethoxy)ethyl 3,6-dichloro-2-methoxybenzoate has a molecular weight of 308.16 g/mol, XLogP of 2.13, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethoxy)ethyl 3,6-dichloro-2-methoxybenzoate is sourced from PubChem (CID 68783214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).