2-(dimethylamino)ethyl 2-(8-chlorodibenzofuran-3-yl)acetate;hydrochloride

C18H19Cl2NO3 — CID 70582999

IUPAC2-(dimethylamino)ethyl 2-(8-chlorodibenzofuran-3-yl)acetate;hydrochloride
SMILESCN(C)CCOC(=O)Cc1ccc2c(c1)oc1ccc(Cl)cc12.Cl
InChIInChI=1S/C18H18ClNO3.ClH/c1-20(2)7-8-22-18(21)10-12-3-5-14-15-11-13(19)4-6-16(15)23-17(14)9-12;/h3-6,9,11H,7-8,10H2,1-2H3;1H
InChIKeyKGUAOPOMGRAOAB-UHFFFAOYSA-N
MW368.26 g/mol
LogP4.31
Rot. Bonds5

About 2-(dimethylamino)ethyl 2-(8-chlorodibenzofuran-3-yl)acetate;hydrochloride

2-(dimethylamino)ethyl 2-(8-chlorodibenzofuran-3-yl)acetate;hydrochloride (PubChem CID 70582999) has the molecular formula C18H19Cl2NO3 and a molecular weight of 368.26 g/mol. Its IUPAC name is 2-(dimethylamino)ethyl 2-(8-chlorodibenzofuran-3-yl)acetate;hydrochloride.

Molecular Properties

Compound Name2-(dimethylamino)ethyl 2-(8-chlorodibenzofuran-3-yl)acetate;hydrochloride
PubChem CID70582999
Molecular FormulaC18H19Cl2NO3
Molecular Weight368.26 g/mol
Exact Mass367.07
IUPAC Name2-(dimethylamino)ethyl 2-(8-chlorodibenzofuran-3-yl)acetate;hydrochloride
SMILESCN(C)CCOC(=O)Cc1ccc2c(c1)oc1ccc(Cl)cc12.Cl
InChIInChI=1S/C18H18ClNO3.ClH/c1-20(2)7-8-22-18(21)10-12-3-5-14-15-11-13(19)4-6-16(15)23-17(14)9-12;/h3-6,9,11H,7-8,10H2,1-2H3;1H
InChIKeyKGUAOPOMGRAOAB-UHFFFAOYSA-N
XLogP4.31
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.26
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)ethyl 2-(8-chlorodibenzofuran-3-yl)acetate;hydrochloride?
The IUPAC name of 2-(dimethylamino)ethyl 2-(8-chlorodibenzofuran-3-yl)acetate;hydrochloride (CID 70582999) is 2-(dimethylamino)ethyl 2-(8-chlorodibenzofuran-3-yl)acetate;hydrochloride.
What is the SMILES notation for 2-(dimethylamino)ethyl 2-(8-chlorodibenzofuran-3-yl)acetate;hydrochloride?
The canonical SMILES for 2-(dimethylamino)ethyl 2-(8-chlorodibenzofuran-3-yl)acetate;hydrochloride is CN(C)CCOC(=O)Cc1ccc2c(c1)oc1ccc(Cl)cc12.Cl.
What is the InChIKey of 2-(dimethylamino)ethyl 2-(8-chlorodibenzofuran-3-yl)acetate;hydrochloride?
The InChIKey is KGUAOPOMGRAOAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNO3.ClH/c1-20(2)7-8-22-18(21)10-12-3-5-14-15-11-13(19)4-6-16(15)23-17(14)9-12;/h3-6,9,11H,7-8,10H2,1-2H3;1H.
What are the key properties of 2-(dimethylamino)ethyl 2-(8-chlorodibenzofuran-3-yl)acetate;hydrochloride?
2-(dimethylamino)ethyl 2-(8-chlorodibenzofuran-3-yl)acetate;hydrochloride has a molecular weight of 368.26 g/mol, XLogP of 4.31, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)ethyl 2-(8-chlorodibenzofuran-3-yl)acetate;hydrochloride is sourced from PubChem (CID 70582999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).