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

C10H12Cl3NO3 — CID 169177858

IUPAC2-aminoethyl 3,6-dichloro-2-methoxybenzoate;hydrochloride
SMILESCOc1c(Cl)ccc(Cl)c1C(=O)OCCN.Cl
InChIInChI=1S/C10H11Cl2NO3.ClH/c1-15-9-7(12)3-2-6(11)8(9)10(14)16-5-4-13;/h2-3H,4-5,13H2,1H3;1H
InChIKeyCRUOCTKVISHCSA-UHFFFAOYSA-N
MW300.57 g/mol
LogP2.54
Rot. Bonds4

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

2-aminoethyl 3,6-dichloro-2-methoxybenzoate;hydrochloride (PubChem CID 169177858) has the molecular formula C10H12Cl3NO3 and a molecular weight of 300.57 g/mol. Its IUPAC name is 2-aminoethyl 3,6-dichloro-2-methoxybenzoate;hydrochloride.

Molecular Properties

Compound Name2-aminoethyl 3,6-dichloro-2-methoxybenzoate;hydrochloride
PubChem CID169177858
Molecular FormulaC10H12Cl3NO3
Molecular Weight300.57 g/mol
Exact Mass298.99
IUPAC Name2-aminoethyl 3,6-dichloro-2-methoxybenzoate;hydrochloride
SMILESCOc1c(Cl)ccc(Cl)c1C(=O)OCCN.Cl
InChIInChI=1S/C10H11Cl2NO3.ClH/c1-15-9-7(12)3-2-6(11)8(9)10(14)16-5-4-13;/h2-3H,4-5,13H2,1H3;1H
InChIKeyCRUOCTKVISHCSA-UHFFFAOYSA-N
XLogP2.54
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.57
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Dicamba
CID 3030
Dicamba dimethylamine salt
CID 16811
Dicamba-sodium
CID 23680611
Dicamba-diglycoamine
CID 18772449
Dicamba-methyl
CID 81070
Dicamba-potassium
CID 23679265
Benzoyl chloride, 3,6-dichloro-2-methoxy-
CID 82609
Dicamba mixture with glyphosate
CID 3059410
Dicamba-D3
CID 12877610
Dicamba-diolamine
CID 62789
3,6-Dichloro-2-methoxybenzoate
CID 4323763
{[(3,6-Dichloro-2-methoxyphenyl)carbonyl]oxy}acetic acid
CID 2257873

Frequently Asked Questions

What is the IUPAC name of 2-aminoethyl 3,6-dichloro-2-methoxybenzoate;hydrochloride?
The IUPAC name of 2-aminoethyl 3,6-dichloro-2-methoxybenzoate;hydrochloride (CID 169177858) is 2-aminoethyl 3,6-dichloro-2-methoxybenzoate;hydrochloride.
What is the SMILES notation for 2-aminoethyl 3,6-dichloro-2-methoxybenzoate;hydrochloride?
The canonical SMILES for 2-aminoethyl 3,6-dichloro-2-methoxybenzoate;hydrochloride is COc1c(Cl)ccc(Cl)c1C(=O)OCCN.Cl.
What is the InChIKey of 2-aminoethyl 3,6-dichloro-2-methoxybenzoate;hydrochloride?
The InChIKey is CRUOCTKVISHCSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2NO3.ClH/c1-15-9-7(12)3-2-6(11)8(9)10(14)16-5-4-13;/h2-3H,4-5,13H2,1H3;1H.
What are the key properties of 2-aminoethyl 3,6-dichloro-2-methoxybenzoate;hydrochloride?
2-aminoethyl 3,6-dichloro-2-methoxybenzoate;hydrochloride has a molecular weight of 300.57 g/mol, XLogP of 2.54, 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;hydrochloride is sourced from PubChem (CID 169177858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).