10-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]phenothiazine

C21H16F3NOS — CID 134140942

IUPAC10-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]phenothiazine
SMILESCOc1ccc(CN2c3ccccc3Sc3ccccc32)c(C(F)(F)F)c1
InChIInChI=1S/C21H16F3NOS/c1-26-15-11-10-14(16(12-15)21(22,23)24)13-25-17-6-2-4-8-19(17)27-20-9-5-3-7-18(20)25/h2-12H,13H2,1H3
InChIKeyMDPSHZSMKLIGIF-UHFFFAOYSA-N
MW387.43 g/mol
LogP6.52
Rot. Bonds3

About 10-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]phenothiazine

10-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]phenothiazine (PubChem CID 134140942) has the molecular formula C21H16F3NOS and a molecular weight of 387.43 g/mol. Its IUPAC name is 10-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]phenothiazine.

Molecular Properties

Compound Name10-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]phenothiazine
PubChem CID134140942
Molecular FormulaC21H16F3NOS
Molecular Weight387.43 g/mol
Exact Mass387.09
IUPAC Name10-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]phenothiazine
SMILESCOc1ccc(CN2c3ccccc3Sc3ccccc32)c(C(F)(F)F)c1
InChIInChI=1S/C21H16F3NOS/c1-26-15-11-10-14(16(12-15)21(22,23)24)13-25-17-6-2-4-8-19(17)27-20-9-5-3-7-18(20)25/h2-12H,13H2,1H3
InChIKeyMDPSHZSMKLIGIF-UHFFFAOYSA-N
XLogP6.52
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.43
LogP ≤ 56.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(4-fluoro-3-methoxyphenyl)ethyl]-10H-phenothiazine
CID 141531528
[4-Methoxy-2-(trifluoromethyl)phenyl]-phenothiazin-10-ylmethanone
CID 127053174
10-[(2-Fluoro-4-methoxyphenyl)methyl]phenothiazine
CID 132580699
2-Methoxy-5-(phenothiazin-10-ylmethyl)phenol
CID 134137948
10-[(3-Fluoro-4-methoxyphenyl)methyl]phenothiazine
CID 134150356
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-phenothiazin-10-ylprop-1-yn-1-amine
CID 44561458
N-[2-(4-methoxyphenyl)ethyl]-N-methyl-3-phenothiazin-10-ylpropan-1-amine
CID 137527041
Isoquinoline, 1,2,3,4-tetrahydro-1,2-diphenyl-6-methoxy-
CID 3024611
Isoquinoline, 1,2,3,4-tetrahydro-6-methoxy-1-(4-methoxyphenyl)-2-phenyl-
CID 3024623
1-Benzyl-6-methoxy-2-phenyl-1,2,3,4-tetrahydroisoquinoline
CID 18172380
10-(3-(4-(methyloxy)phenyl)acryloyl)-2-(trifluoromethyl)-10H-phenothiazine
CID 1931608
1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-phenothiazin-10-ylpropan-1-one
CID 2098246

Frequently Asked Questions

What is the IUPAC name of 10-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]phenothiazine?
The IUPAC name of 10-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]phenothiazine (CID 134140942) is 10-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]phenothiazine.
What is the SMILES notation for 10-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]phenothiazine?
The canonical SMILES for 10-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]phenothiazine is COc1ccc(CN2c3ccccc3Sc3ccccc32)c(C(F)(F)F)c1.
What is the InChIKey of 10-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]phenothiazine?
The InChIKey is MDPSHZSMKLIGIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F3NOS/c1-26-15-11-10-14(16(12-15)21(22,23)24)13-25-17-6-2-4-8-19(17)27-20-9-5-3-7-18(20)25/h2-12H,13H2,1H3.
What are the key properties of 10-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]phenothiazine?
10-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]phenothiazine has a molecular weight of 387.43 g/mol, XLogP of 6.52, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]phenothiazine is sourced from PubChem (CID 134140942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).