2-[2-(2,6-dichloro-3-methylanilino)ethyl-ethylamino]ethyl benzoate

C20H24Cl2N2O2 — CID 175333784

IUPAC2-[2-(2,6-dichloro-3-methylanilino)ethyl-ethylamino]ethyl benzoate
SMILESCCN(CCNc1c(Cl)ccc(C)c1Cl)CCOC(=O)c1ccccc1
InChIInChI=1S/C20H24Cl2N2O2/c1-3-24(13-14-26-20(25)16-7-5-4-6-8-16)12-11-23-19-17(21)10-9-15(2)18(19)22/h4-10,23H,3,11-14H2,1-2H3
InChIKeyGLXOAGYZOOUIDR-UHFFFAOYSA-N
MW395.33 g/mol
LogP4.89
Rot. Bonds9

About 2-[2-(2,6-dichloro-3-methylanilino)ethyl-ethylamino]ethyl benzoate

2-[2-(2,6-dichloro-3-methylanilino)ethyl-ethylamino]ethyl benzoate (PubChem CID 175333784) has the molecular formula C20H24Cl2N2O2 and a molecular weight of 395.33 g/mol. Its IUPAC name is 2-[2-(2,6-dichloro-3-methylanilino)ethyl-ethylamino]ethyl benzoate.

Molecular Properties

Compound Name2-[2-(2,6-dichloro-3-methylanilino)ethyl-ethylamino]ethyl benzoate
PubChem CID175333784
Molecular FormulaC20H24Cl2N2O2
Molecular Weight395.33 g/mol
Exact Mass394.12
IUPAC Name2-[2-(2,6-dichloro-3-methylanilino)ethyl-ethylamino]ethyl benzoate
SMILESCCN(CCNc1c(Cl)ccc(C)c1Cl)CCOC(=O)c1ccccc1
InChIInChI=1S/C20H24Cl2N2O2/c1-3-24(13-14-26-20(25)16-7-5-4-6-8-16)12-11-23-19-17(21)10-9-15(2)18(19)22/h4-10,23H,3,11-14H2,1-2H3
InChIKeyGLXOAGYZOOUIDR-UHFFFAOYSA-N
XLogP4.89
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.33
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

acetic acid;2-(diethylamino)ethyl 2-(2,6-dichloro-3-methylanilino)benzoate
CID 24752851
2-[6-[2-(4-benzoylbenzoyl)oxyethyl-ethylamino]hexyl-ethylamino]ethyl 4-benzoylbenzoate
CID 58194625
2-benzoyloxy-2-(2,6-dichloro-3-methylanilino)acetic acid
CID 70387927
2-[bis[(2-methylphenyl)methyl]amino]ethyl benzoate;hydrochloride
CID 173359238
2-(diethylamino)ethyl 4-[(4-chloro-2,5-dimethylphenyl)sulfonylamino]benzoate
CID 22204210
2-(diethylamino)ethyl 4-tert-butylbenzoate;hydrochloride
CID 2929493
2-(dimethylamino)ethyl benzoate;hydroiodide
CID 2752377
2-(diethylamino)ethyl 4-aminobenzoate;hectahydrochloride
CID 173229201
2-(diethylamino)ethyl 4-[3-(2-chlorophenoxy)propanoylamino]benzoate
CID 108789465
2-(diethylamino)ethyl 2-(ethylamino)-6-methylbenzoate;dihydrochloride
CID 13478121
[4-[2-(diethylamino)ethoxycarbonyl]phenyl]azanium chloride
CID 43833393
2-(methylamino)ethyl benzoate
CID 158644589

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,6-dichloro-3-methylanilino)ethyl-ethylamino]ethyl benzoate?
The IUPAC name of 2-[2-(2,6-dichloro-3-methylanilino)ethyl-ethylamino]ethyl benzoate (CID 175333784) is 2-[2-(2,6-dichloro-3-methylanilino)ethyl-ethylamino]ethyl benzoate.
What is the SMILES notation for 2-[2-(2,6-dichloro-3-methylanilino)ethyl-ethylamino]ethyl benzoate?
The canonical SMILES for 2-[2-(2,6-dichloro-3-methylanilino)ethyl-ethylamino]ethyl benzoate is CCN(CCNc1c(Cl)ccc(C)c1Cl)CCOC(=O)c1ccccc1.
What is the InChIKey of 2-[2-(2,6-dichloro-3-methylanilino)ethyl-ethylamino]ethyl benzoate?
The InChIKey is GLXOAGYZOOUIDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24Cl2N2O2/c1-3-24(13-14-26-20(25)16-7-5-4-6-8-16)12-11-23-19-17(21)10-9-15(2)18(19)22/h4-10,23H,3,11-14H2,1-2H3.
What are the key properties of 2-[2-(2,6-dichloro-3-methylanilino)ethyl-ethylamino]ethyl benzoate?
2-[2-(2,6-dichloro-3-methylanilino)ethyl-ethylamino]ethyl benzoate has a molecular weight of 395.33 g/mol, XLogP of 4.89, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,6-dichloro-3-methylanilino)ethyl-ethylamino]ethyl benzoate is sourced from PubChem (CID 175333784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).