3-N,3-N-bis(2-methoxyethyl)-7-N,7-N-dimethyl-1-(trifluoromethyl)-10H-phenothiazine-3,7-diamine

C21H26F3N3O2S — CID 66562549

IUPAC3-N,3-N-bis(2-methoxyethyl)-7-N,7-N-dimethyl-1-(trifluoromethyl)-10H-phenothiazine-3,7-diamine
SMILESCOCCN(CCOC)c1cc2c(c(C(F)(F)F)c1)Nc1ccc(N(C)C)cc1S2
InChIInChI=1S/C21H26F3N3O2S/c1-26(2)14-5-6-17-18(12-14)30-19-13-15(27(7-9-28-3)8-10-29-4)11-16(20(19)25-17)21(22,23)24/h5-6,11-13,25H,7-10H2,1-4H3
InChIKeyAZTUSIQPPSCTDT-UHFFFAOYSA-N
MW441.52 g/mol
LogP5.08
Rot. Bonds8

About 3-N,3-N-bis(2-methoxyethyl)-7-N,7-N-dimethyl-1-(trifluoromethyl)-10H-phenothiazine-3,7-diamine

3-N,3-N-bis(2-methoxyethyl)-7-N,7-N-dimethyl-1-(trifluoromethyl)-10H-phenothiazine-3,7-diamine (PubChem CID 66562549) has the molecular formula C21H26F3N3O2S and a molecular weight of 441.52 g/mol. Its IUPAC name is 3-N,3-N-bis(2-methoxyethyl)-7-N,7-N-dimethyl-1-(trifluoromethyl)-10H-phenothiazine-3,7-diamine.

Molecular Properties

Compound Name3-N,3-N-bis(2-methoxyethyl)-7-N,7-N-dimethyl-1-(trifluoromethyl)-10H-phenothiazine-3,7-diamine
PubChem CID66562549
Molecular FormulaC21H26F3N3O2S
Molecular Weight441.52 g/mol
Exact Mass441.17
IUPAC Name3-N,3-N-bis(2-methoxyethyl)-7-N,7-N-dimethyl-1-(trifluoromethyl)-10H-phenothiazine-3,7-diamine
SMILESCOCCN(CCOC)c1cc2c(c(C(F)(F)F)c1)Nc1ccc(N(C)C)cc1S2
InChIInChI=1S/C21H26F3N3O2S/c1-26(2)14-5-6-17-18(12-14)30-19-13-15(27(7-9-28-3)8-10-29-4)11-16(20(19)25-17)21(22,23)24/h5-6,11-13,25H,7-10H2,1-4H3
InChIKeyAZTUSIQPPSCTDT-UHFFFAOYSA-N
XLogP5.08
TPSA36.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.52
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-N,3-N-bis(2-methoxyethyl)-7-N,7-N-dimethyl-1-(trifluoromethyl)-10H-phenothiazine-3,7-diamine with MolForge

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Related Compounds

N,N-dimethyl-7-(methylaminomethyl)-9-(trifluoromethyl)-10H-phenothiazin-3-amine;N,N,1,9-tetramethyl-7-(methylaminomethyl)-10H-phenothiazin-3-amine
CID 161377145
3-N,3-N,7-N,7-N-tetrakis(2-methoxyethyl)-1,9-dimethyl-10H-phenothiazine-3,7-diamine
CID 90338788
N,N-bis(2-methoxyethyl)-7-piperazin-1-yl-2-(trifluoromethyl)-10H-phenothiazin-3-amine
CID 66562547
3-N,3-N,7-N,7-N-tetrabutyl-10H-phenothiazine-3,7-diamine
CID 21441331
tert-butyl 4-[7-[bis(2-methoxyethyl)amino]-10H-phenothiazin-3-yl]piperazine-1-carboxylate
CID 66562440
1-[3,7-bis(dimethylamino)-10H-phenothiazin-1-yl]ethanone
CID 154159109
N,N-dibutyl-10H-phenothiazin-3-amine
CID 68756798
4-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2-(trifluoromethyl)benzonitrile;4-[2-methoxyethyl(2,2,2-trifluoroethyl)amino]-2-(trifluoromethyl)benzonitrile
CID 160873758
N,N-diethyl-10H-phenothiazin-3-amine
CID 68755312
5-[2-methoxyethyl(prop-2-enyl)amino]-2-(trifluoromethyl)benzonitrile
CID 103339028
(Z)-[[4-[bis(2-methoxyethyl)amino]phenyl]-[4-(trifluoromethyl)phenyl]methylidene]-iminoazanium
CID 162510666
4-[bis(2-methoxyethyl)amino]benzonitrile
CID 60754027

Frequently Asked Questions

What is the IUPAC name of 3-N,3-N-bis(2-methoxyethyl)-7-N,7-N-dimethyl-1-(trifluoromethyl)-10H-phenothiazine-3,7-diamine?
The IUPAC name of 3-N,3-N-bis(2-methoxyethyl)-7-N,7-N-dimethyl-1-(trifluoromethyl)-10H-phenothiazine-3,7-diamine (CID 66562549) is 3-N,3-N-bis(2-methoxyethyl)-7-N,7-N-dimethyl-1-(trifluoromethyl)-10H-phenothiazine-3,7-diamine.
What is the SMILES notation for 3-N,3-N-bis(2-methoxyethyl)-7-N,7-N-dimethyl-1-(trifluoromethyl)-10H-phenothiazine-3,7-diamine?
The canonical SMILES for 3-N,3-N-bis(2-methoxyethyl)-7-N,7-N-dimethyl-1-(trifluoromethyl)-10H-phenothiazine-3,7-diamine is COCCN(CCOC)c1cc2c(c(C(F)(F)F)c1)Nc1ccc(N(C)C)cc1S2.
What is the InChIKey of 3-N,3-N-bis(2-methoxyethyl)-7-N,7-N-dimethyl-1-(trifluoromethyl)-10H-phenothiazine-3,7-diamine?
The InChIKey is AZTUSIQPPSCTDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26F3N3O2S/c1-26(2)14-5-6-17-18(12-14)30-19-13-15(27(7-9-28-3)8-10-29-4)11-16(20(19)25-17)21(22,23)24/h5-6,11-13,25H,7-10H2,1-4H3.
What are the key properties of 3-N,3-N-bis(2-methoxyethyl)-7-N,7-N-dimethyl-1-(trifluoromethyl)-10H-phenothiazine-3,7-diamine?
3-N,3-N-bis(2-methoxyethyl)-7-N,7-N-dimethyl-1-(trifluoromethyl)-10H-phenothiazine-3,7-diamine has a molecular weight of 441.52 g/mol, XLogP of 5.08, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,3-N-bis(2-methoxyethyl)-7-N,7-N-dimethyl-1-(trifluoromethyl)-10H-phenothiazine-3,7-diamine is sourced from PubChem (CID 66562549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).