4-[3-[1-(10H-phenothiazin-2-yl)ethyl]phenyl]morpholine

C24H24N2OS — CID 162659406

IUPAC4-[3-[1-(10H-phenothiazin-2-yl)ethyl]phenyl]morpholine
SMILESCC(c1cccc(N2CCOCC2)c1)c1ccc2c(c1)Nc1ccccc1S2
InChIInChI=1S/C24H24N2OS/c1-17(18-5-4-6-20(15-18)26-11-13-27-14-12-26)19-9-10-24-22(16-19)25-21-7-2-3-8-23(21)28-24/h2-10,15-17,25H,11-14H2,1H3
InChIKeyDGVNASHOJLTSNM-UHFFFAOYSA-N
MW388.54 g/mol
LogP5.88
Rot. Bonds3

About 4-[3-[1-(10H-phenothiazin-2-yl)ethyl]phenyl]morpholine

4-[3-[1-(10H-phenothiazin-2-yl)ethyl]phenyl]morpholine (PubChem CID 162659406) has the molecular formula C24H24N2OS and a molecular weight of 388.54 g/mol. Its IUPAC name is 4-[3-[1-(10H-phenothiazin-2-yl)ethyl]phenyl]morpholine.

Molecular Properties

Compound Name4-[3-[1-(10H-phenothiazin-2-yl)ethyl]phenyl]morpholine
PubChem CID162659406
Molecular FormulaC24H24N2OS
Molecular Weight388.54 g/mol
Exact Mass388.16
IUPAC Name4-[3-[1-(10H-phenothiazin-2-yl)ethyl]phenyl]morpholine
SMILESCC(c1cccc(N2CCOCC2)c1)c1ccc2c(c1)Nc1ccccc1S2
InChIInChI=1S/C24H24N2OS/c1-17(18-5-4-6-20(15-18)26-11-13-27-14-12-26)19-9-10-24-22(16-19)25-21-7-2-3-8-23(21)28-24/h2-10,15-17,25H,11-14H2,1H3
InChIKeyDGVNASHOJLTSNM-UHFFFAOYSA-N
XLogP5.88
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.54
LogP ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Ferroptosis-IN-18
CID 141531564
2-[1-(3,5-dimethylphenyl)ethyl]-10H-phenothiazine
CID 141531495
2-[1-(3-ethylphenyl)ethyl]-10H-phenothiazine
CID 141531503
2-[1-(4-propan-2-ylphenyl)ethyl]-10H-phenothiazine
CID 141531509
2-[1-(3-methylphenyl)ethyl]-10H-phenothiazine
CID 141531527
2-[1-[4-(2-methylpropyl)phenyl]ethyl]-10H-phenothiazine
CID 141531537
2-[1-(3-propan-2-ylphenyl)ethyl]-10H-phenothiazine
CID 141531544
2-[1-(3-fluorophenyl)ethyl]-10H-phenothiazine
CID 141531550
2-[1-(4-ethylphenyl)ethyl]-10H-phenothiazine
CID 141531551
2-[1-(4-butylphenyl)ethyl]-10H-phenothiazine
CID 141531554
2-(1-phenylethyl)-10H-phenothiazine
CID 141531557
2-[1-(4-fluorophenyl)ethyl]-10H-phenothiazine
CID 141531566

Frequently Asked Questions

What is the IUPAC name of 4-[3-[1-(10H-phenothiazin-2-yl)ethyl]phenyl]morpholine?
The IUPAC name of 4-[3-[1-(10H-phenothiazin-2-yl)ethyl]phenyl]morpholine (CID 162659406) is 4-[3-[1-(10H-phenothiazin-2-yl)ethyl]phenyl]morpholine.
What is the SMILES notation for 4-[3-[1-(10H-phenothiazin-2-yl)ethyl]phenyl]morpholine?
The canonical SMILES for 4-[3-[1-(10H-phenothiazin-2-yl)ethyl]phenyl]morpholine is CC(c1cccc(N2CCOCC2)c1)c1ccc2c(c1)Nc1ccccc1S2.
What is the InChIKey of 4-[3-[1-(10H-phenothiazin-2-yl)ethyl]phenyl]morpholine?
The InChIKey is DGVNASHOJLTSNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2OS/c1-17(18-5-4-6-20(15-18)26-11-13-27-14-12-26)19-9-10-24-22(16-19)25-21-7-2-3-8-23(21)28-24/h2-10,15-17,25H,11-14H2,1H3.
What are the key properties of 4-[3-[1-(10H-phenothiazin-2-yl)ethyl]phenyl]morpholine?
4-[3-[1-(10H-phenothiazin-2-yl)ethyl]phenyl]morpholine has a molecular weight of 388.54 g/mol, XLogP of 5.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[1-(10H-phenothiazin-2-yl)ethyl]phenyl]morpholine is sourced from PubChem (CID 162659406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).