2-[2-(dimethylamino)ethoxy]ethyl phenothiazine-10-carboxylate

C19H22N2O3S — CID 10610

IUPAC2-[2-(dimethylamino)ethoxy]ethyl phenothiazine-10-carboxylate
SMILESCN(C)CCOCCOC(=O)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C19H22N2O3S/c1-20(2)11-12-23-13-14-24-19(22)21-15-7-3-5-9-17(15)25-18-10-6-4-8-16(18)21/h3-10H,11-14H2,1-2H3
InChIKeyOOVJCSPCMCAXEX-UHFFFAOYSA-N
MW358.46 g/mol
LogP4.00
Rot. Bonds6

About 2-[2-(dimethylamino)ethoxy]ethyl phenothiazine-10-carboxylate

2-[2-(dimethylamino)ethoxy]ethyl phenothiazine-10-carboxylate (PubChem CID 10610) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethoxy]ethyl phenothiazine-10-carboxylate.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethoxy]ethyl phenothiazine-10-carboxylate
PubChem CID10610
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC Name2-[2-(dimethylamino)ethoxy]ethyl phenothiazine-10-carboxylate
SMILESCN(C)CCOCCOC(=O)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C19H22N2O3S/c1-20(2)11-12-23-13-14-24-19(22)21-15-7-3-5-9-17(15)25-18-10-6-4-8-16(18)21/h3-10H,11-14H2,1-2H3
InChIKeyOOVJCSPCMCAXEX-UHFFFAOYSA-N
XLogP4.00
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Moricizine
CID 34633
Dixyrazine
CID 17182
2-(Diethylamino)-1-(10H-phenothiazin-10-yl)ethanone
CID 69500
10-(4-morpholinylcarbonyl)-10H-phenothiazine
CID 705776
2-(morpholin-4-yl)-1-(10H-phenothiazin-10-yl)ethanone
CID 713627
ethyl (3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl)acetate
CID 3245459
Dimethoxanate Hydrochloride
CID 10609
Hydroxyethylpromethazine
CID 16406
tert-butyl 10H-phenothiazine-10-carboxylate
CID 44568319
2-(2-Methoxy-ethylamino)-1-phenothiazin-10-yl-ethanone
CID 3215288
Novazine
CID 65735
3-(diethylamino)propyl 10H-phenothiazine-10-carboxylate
CID 44568347

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethoxy]ethyl phenothiazine-10-carboxylate?
The IUPAC name of 2-[2-(dimethylamino)ethoxy]ethyl phenothiazine-10-carboxylate (CID 10610) is 2-[2-(dimethylamino)ethoxy]ethyl phenothiazine-10-carboxylate.
What is the SMILES notation for 2-[2-(dimethylamino)ethoxy]ethyl phenothiazine-10-carboxylate?
The canonical SMILES for 2-[2-(dimethylamino)ethoxy]ethyl phenothiazine-10-carboxylate is CN(C)CCOCCOC(=O)N1c2ccccc2Sc2ccccc21.
What is the InChIKey of 2-[2-(dimethylamino)ethoxy]ethyl phenothiazine-10-carboxylate?
The InChIKey is OOVJCSPCMCAXEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S/c1-20(2)11-12-23-13-14-24-19(22)21-15-7-3-5-9-17(15)25-18-10-6-4-8-16(18)21/h3-10H,11-14H2,1-2H3.
What are the key properties of 2-[2-(dimethylamino)ethoxy]ethyl phenothiazine-10-carboxylate?
2-[2-(dimethylamino)ethoxy]ethyl phenothiazine-10-carboxylate has a molecular weight of 358.46 g/mol, XLogP of 4.00, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethoxy]ethyl phenothiazine-10-carboxylate is sourced from PubChem (CID 10610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).