2-aminoethyl 3,6-dichloro-2-methoxybenzoate

C10H11Cl2NO3 — CID 57483970

IUPAC2-aminoethyl 3,6-dichloro-2-methoxybenzoate
SMILESCOc1c(Cl)ccc(Cl)c1C(=O)OCCN
InChIInChI=1S/C10H11Cl2NO3/c1-15-9-7(12)3-2-6(11)8(9)10(14)16-5-4-13/h2-3H,4-5,13H2,1H3
InChIKeyPQASAPBEVVLHJG-UHFFFAOYSA-N
MW264.11 g/mol
LogP2.12
Rot. Bonds4

About 2-aminoethyl 3,6-dichloro-2-methoxybenzoate

2-aminoethyl 3,6-dichloro-2-methoxybenzoate (PubChem CID 57483970) has the molecular formula C10H11Cl2NO3 and a molecular weight of 264.11 g/mol. Its IUPAC name is 2-aminoethyl 3,6-dichloro-2-methoxybenzoate.

Molecular Properties

Compound Name2-aminoethyl 3,6-dichloro-2-methoxybenzoate
PubChem CID57483970
Molecular FormulaC10H11Cl2NO3
Molecular Weight264.11 g/mol
Exact Mass263.01
IUPAC Name2-aminoethyl 3,6-dichloro-2-methoxybenzoate
SMILESCOc1c(Cl)ccc(Cl)c1C(=O)OCCN
InChIInChI=1S/C10H11Cl2NO3/c1-15-9-7(12)3-2-6(11)8(9)10(14)16-5-4-13/h2-3H,4-5,13H2,1H3
InChIKeyPQASAPBEVVLHJG-UHFFFAOYSA-N
XLogP2.12
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.11
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-aminoethyl 3,6-dichloro-2-methoxybenzoate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-aminoethyl 3,6-dichloro-2-methoxybenzoate?
The IUPAC name of 2-aminoethyl 3,6-dichloro-2-methoxybenzoate (CID 57483970) is 2-aminoethyl 3,6-dichloro-2-methoxybenzoate.
What is the SMILES notation for 2-aminoethyl 3,6-dichloro-2-methoxybenzoate?
The canonical SMILES for 2-aminoethyl 3,6-dichloro-2-methoxybenzoate is COc1c(Cl)ccc(Cl)c1C(=O)OCCN.
What is the InChIKey of 2-aminoethyl 3,6-dichloro-2-methoxybenzoate?
The InChIKey is PQASAPBEVVLHJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2NO3/c1-15-9-7(12)3-2-6(11)8(9)10(14)16-5-4-13/h2-3H,4-5,13H2,1H3.
What are the key properties of 2-aminoethyl 3,6-dichloro-2-methoxybenzoate?
2-aminoethyl 3,6-dichloro-2-methoxybenzoate has a molecular weight of 264.11 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethyl 3,6-dichloro-2-methoxybenzoate is sourced from PubChem (CID 57483970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).