2-(diethylamino)ethyl 2-(ethylamino)-6-methylbenzoate;dihydrochloride

C16H28Cl2N2O2 — CID 13478121

IUPAC2-(diethylamino)ethyl 2-(ethylamino)-6-methylbenzoate;dihydrochloride
SMILESCCNc1cccc(C)c1C(=O)OCCN(CC)CC.Cl.Cl
InChIInChI=1S/C16H26N2O2.2ClH/c1-5-17-14-10-8-9-13(4)15(14)16(19)20-12-11-18(6-2)7-3;;/h8-10,17H,5-7,11-12H2,1-4H3;2*1H
InChIKeyOLOSLRZHIGLVBF-UHFFFAOYSA-N
MW351.32 g/mol
LogP3.77
Rot. Bonds8

About 2-(diethylamino)ethyl 2-(ethylamino)-6-methylbenzoate;dihydrochloride

2-(diethylamino)ethyl 2-(ethylamino)-6-methylbenzoate;dihydrochloride (PubChem CID 13478121) has the molecular formula C16H28Cl2N2O2 and a molecular weight of 351.32 g/mol. Its IUPAC name is 2-(diethylamino)ethyl 2-(ethylamino)-6-methylbenzoate;dihydrochloride.

Molecular Properties

Compound Name2-(diethylamino)ethyl 2-(ethylamino)-6-methylbenzoate;dihydrochloride
PubChem CID13478121
Molecular FormulaC16H28Cl2N2O2
Molecular Weight351.32 g/mol
Exact Mass350.15
IUPAC Name2-(diethylamino)ethyl 2-(ethylamino)-6-methylbenzoate;dihydrochloride
SMILESCCNc1cccc(C)c1C(=O)OCCN(CC)CC.Cl.Cl
InChIInChI=1S/C16H26N2O2.2ClH/c1-5-17-14-10-8-9-13(4)15(14)16(19)20-12-11-18(6-2)7-3;;/h8-10,17H,5-7,11-12H2,1-4H3;2*1H
InChIKeyOLOSLRZHIGLVBF-UHFFFAOYSA-N
XLogP3.77
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.32
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(ethylamino)-6-methylbenzoate
CID 130734584
2-(diethylamino)ethyl 2-ethylsulfanyl-6-methylbenzoate
CID 13478112
2-(ethylamino)-6-methylbenzoic acid
CID 13478134
ethyl 2-[(2-ethoxy-2-oxoethyl)amino]-6-methylbenzoate
CID 10706801
bis[2-(diethylamino)ethyl] 3-aminobenzene-1,2-dicarboxylate
CID 71441917
2-(diethylamino)ethyl acridine-9-carboxylate;hydrochloride
CID 138400827
2-(diethylamino)ethyl 4-tert-butylbenzoate;hydrochloride
CID 2929493
ethyl 2,6-dimethylbenzoate
CID 520807
2-(diethylamino)ethyl 3,5-dimethylbenzoate;hydrochloride
CID 138399963
2-(diethylamino)ethyl 4-aminobenzoate;hectahydrochloride
CID 173229201
N-(2,3-dimethylphenyl)-N',N'-diethylethane-1,2-diamine
CID 28585667
1-O-butyl 2-O-[2-(diethylamino)ethyl] 3-aminobenzene-1,2-dicarboxylate;hydrobromide
CID 24841851

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)ethyl 2-(ethylamino)-6-methylbenzoate;dihydrochloride?
The IUPAC name of 2-(diethylamino)ethyl 2-(ethylamino)-6-methylbenzoate;dihydrochloride (CID 13478121) is 2-(diethylamino)ethyl 2-(ethylamino)-6-methylbenzoate;dihydrochloride.
What is the SMILES notation for 2-(diethylamino)ethyl 2-(ethylamino)-6-methylbenzoate;dihydrochloride?
The canonical SMILES for 2-(diethylamino)ethyl 2-(ethylamino)-6-methylbenzoate;dihydrochloride is CCNc1cccc(C)c1C(=O)OCCN(CC)CC.Cl.Cl.
What is the InChIKey of 2-(diethylamino)ethyl 2-(ethylamino)-6-methylbenzoate;dihydrochloride?
The InChIKey is OLOSLRZHIGLVBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2.2ClH/c1-5-17-14-10-8-9-13(4)15(14)16(19)20-12-11-18(6-2)7-3;;/h8-10,17H,5-7,11-12H2,1-4H3;2*1H.
What are the key properties of 2-(diethylamino)ethyl 2-(ethylamino)-6-methylbenzoate;dihydrochloride?
2-(diethylamino)ethyl 2-(ethylamino)-6-methylbenzoate;dihydrochloride has a molecular weight of 351.32 g/mol, XLogP of 3.77, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)ethyl 2-(ethylamino)-6-methylbenzoate;dihydrochloride is sourced from PubChem (CID 13478121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).