7-(2,6-dimethylmorpholin-4-yl)-1,9-diethyl-N,N-dimethyl-10H-phenothiazin-3-amine

C24H33N3OS — CID 89077358

IUPAC7-(2,6-dimethylmorpholin-4-yl)-1,9-diethyl-N,N-dimethyl-10H-phenothiazin-3-amine
SMILESCCc1cc(N(C)C)cc2c1Nc1c(CC)cc(N3CC(C)OC(C)C3)cc1S2
InChIInChI=1S/C24H33N3OS/c1-7-17-9-19(26(5)6)11-21-23(17)25-24-18(8-2)10-20(12-22(24)29-21)27-13-15(3)28-16(4)14-27/h9-12,15-16,25H,7-8,13-14H2,1-6H3
InChIKeyJGRMBTSMUDSIFB-UHFFFAOYSA-N
MW411.62 g/mol
LogP5.70
Rot. Bonds4

About 7-(2,6-dimethylmorpholin-4-yl)-1,9-diethyl-N,N-dimethyl-10H-phenothiazin-3-amine

7-(2,6-dimethylmorpholin-4-yl)-1,9-diethyl-N,N-dimethyl-10H-phenothiazin-3-amine (PubChem CID 89077358) has the molecular formula C24H33N3OS and a molecular weight of 411.62 g/mol. Its IUPAC name is 7-(2,6-dimethylmorpholin-4-yl)-1,9-diethyl-N,N-dimethyl-10H-phenothiazin-3-amine.

Molecular Properties

Compound Name7-(2,6-dimethylmorpholin-4-yl)-1,9-diethyl-N,N-dimethyl-10H-phenothiazin-3-amine
PubChem CID89077358
Molecular FormulaC24H33N3OS
Molecular Weight411.62 g/mol
Exact Mass411.23
IUPAC Name7-(2,6-dimethylmorpholin-4-yl)-1,9-diethyl-N,N-dimethyl-10H-phenothiazin-3-amine
SMILESCCc1cc(N(C)C)cc2c1Nc1c(CC)cc(N3CC(C)OC(C)C3)cc1S2
InChIInChI=1S/C24H33N3OS/c1-7-17-9-19(26(5)6)11-21-23(17)25-24-18(8-2)10-20(12-22(24)29-21)27-13-15(3)28-16(4)14-27/h9-12,15-16,25H,7-8,13-14H2,1-6H3
InChIKeyJGRMBTSMUDSIFB-UHFFFAOYSA-N
XLogP5.70
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.62
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 7-(2,6-dimethylmorpholin-4-yl)-1,9-diethyl-N,N-dimethyl-10H-phenothiazin-3-amine with MolForge

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Related Compounds

7-(2,6-dimethylmorpholin-4-yl)-1-ethyl-5-iodo-N,N,9-trimethylphenothiazin-3-amine
CID 140598385
(2R,6R)-4-(3-ethylphenyl)-2,6-dimethylmorpholine
CID 165121156
(2S)-4-(3-ethylphenyl)-2,6-dimethylmorpholine
CID 59545911
tert-butyl 4-(1-ethyl-9-methyl-10H-phenothiazin-3-yl)piperazine-1-carboxylate;trihydroiodide
CID 67972198
4-(3,4-diethyl-6-propan-2-yl-2-pyridinyl)-2,6-dimethylmorpholine
CID 176665902
4-(6-ethyl-3-pyridinyl)-2,6-dimethylmorpholine
CID 121264933
5-(2,6-dimethylmorpholin-4-yl)-N-methylpyridin-3-amine
CID 104532451
2-[2-chloro-4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]ethanamine
CID 114064893
(2S,6R)-4-(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)-2,6-dimethylmorpholine
CID 93213873
ethyl 2-amino-5-(2,6-dimethylmorpholin-4-yl)benzoate
CID 61312863
N-[1-(2-aminoethyl)piperidin-4-yl]-7-(2,6-dimethylmorpholin-4-yl)-3-(trifluoromethyl)-10H-phenothiazin-1-amine;hydrochloride
CID 139346721
(2S)-2,6-dimethyl-4-(4-methylphenyl)morpholine
CID 166696094

Frequently Asked Questions

What is the IUPAC name of 7-(2,6-dimethylmorpholin-4-yl)-1,9-diethyl-N,N-dimethyl-10H-phenothiazin-3-amine?
The IUPAC name of 7-(2,6-dimethylmorpholin-4-yl)-1,9-diethyl-N,N-dimethyl-10H-phenothiazin-3-amine (CID 89077358) is 7-(2,6-dimethylmorpholin-4-yl)-1,9-diethyl-N,N-dimethyl-10H-phenothiazin-3-amine.
What is the SMILES notation for 7-(2,6-dimethylmorpholin-4-yl)-1,9-diethyl-N,N-dimethyl-10H-phenothiazin-3-amine?
The canonical SMILES for 7-(2,6-dimethylmorpholin-4-yl)-1,9-diethyl-N,N-dimethyl-10H-phenothiazin-3-amine is CCc1cc(N(C)C)cc2c1Nc1c(CC)cc(N3CC(C)OC(C)C3)cc1S2.
What is the InChIKey of 7-(2,6-dimethylmorpholin-4-yl)-1,9-diethyl-N,N-dimethyl-10H-phenothiazin-3-amine?
The InChIKey is JGRMBTSMUDSIFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3OS/c1-7-17-9-19(26(5)6)11-21-23(17)25-24-18(8-2)10-20(12-22(24)29-21)27-13-15(3)28-16(4)14-27/h9-12,15-16,25H,7-8,13-14H2,1-6H3.
What are the key properties of 7-(2,6-dimethylmorpholin-4-yl)-1,9-diethyl-N,N-dimethyl-10H-phenothiazin-3-amine?
7-(2,6-dimethylmorpholin-4-yl)-1,9-diethyl-N,N-dimethyl-10H-phenothiazin-3-amine has a molecular weight of 411.62 g/mol, XLogP of 5.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,6-dimethylmorpholin-4-yl)-1,9-diethyl-N,N-dimethyl-10H-phenothiazin-3-amine is sourced from PubChem (CID 89077358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).