10-[(3-bromo-5-methylphenyl)methyl]phenothiazine

C20H16BrNS — CID 173259016

IUPAC10-[(3-bromo-5-methylphenyl)methyl]phenothiazine
SMILESCc1cc(Br)cc(CN2c3ccccc3Sc3ccccc32)c1
InChIInChI=1S/C20H16BrNS/c1-14-10-15(12-16(21)11-14)13-22-17-6-2-4-8-19(17)23-20-9-5-3-7-18(20)22/h2-12H,13H2,1H3
InChIKeyVDOCMGCPMAPSSE-UHFFFAOYSA-N
MW382.33 g/mol
LogP6.56
Rot. Bonds2

About 10-[(3-bromo-5-methylphenyl)methyl]phenothiazine

10-[(3-bromo-5-methylphenyl)methyl]phenothiazine (PubChem CID 173259016) has the molecular formula C20H16BrNS and a molecular weight of 382.33 g/mol. Its IUPAC name is 10-[(3-bromo-5-methylphenyl)methyl]phenothiazine.

Molecular Properties

Compound Name10-[(3-bromo-5-methylphenyl)methyl]phenothiazine
PubChem CID173259016
Molecular FormulaC20H16BrNS
Molecular Weight382.33 g/mol
Exact Mass381.02
IUPAC Name10-[(3-bromo-5-methylphenyl)methyl]phenothiazine
SMILESCc1cc(Br)cc(CN2c3ccccc3Sc3ccccc32)c1
InChIInChI=1S/C20H16BrNS/c1-14-10-15(12-16(21)11-14)13-22-17-6-2-4-8-19(17)23-20-9-5-3-7-18(20)22/h2-12H,13H2,1H3
InChIKeyVDOCMGCPMAPSSE-UHFFFAOYSA-N
XLogP6.56
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.33
LogP ≤ 56.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 10-[(3-bromo-5-methylphenyl)methyl]phenothiazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-10-[(3-methylphenyl)methyl]phenothiazine
CID 132591419
10-[(4-bromophenyl)methyl]pyrido[3,2-b][1,4]benzothiazine
CID 3813762
3-bromo-10-butylphenothiazine
CID 118645925
10-(2,2-dimethylpropyl)phenothiazine
CID 69273925
10-(1H-imidazol-2-ylmethyl)phenothiazine
CID 24841511
10-(2-phenylethyl)phenothiazine
CID 4594348
diethyl(2-phenothiazin-10-ylethyl)azanium
CID 6918965
10-[[3-(azacyclotetradec-1-ylmethyl)-5-nitrophenyl]methyl]phenothiazine
CID 70105023
3-benzyl-2-[[2,6-dimethyl-1-(4-propan-2-ylphenyl)pyridin-1-ium-4-yl]methylidene]-1,3-benzothiazole
CID 2312192
1-bromo-3-ethyl-5-methylbenzene;ethane
CID 142064327
N-[(3-bromo-5-methylphenyl)methyl]-N-methylhydroxylamine
CID 84793464
10-butylphenothiazine;propane
CID 177020956

Frequently Asked Questions

What is the IUPAC name of 10-[(3-bromo-5-methylphenyl)methyl]phenothiazine?
The IUPAC name of 10-[(3-bromo-5-methylphenyl)methyl]phenothiazine (CID 173259016) is 10-[(3-bromo-5-methylphenyl)methyl]phenothiazine.
What is the SMILES notation for 10-[(3-bromo-5-methylphenyl)methyl]phenothiazine?
The canonical SMILES for 10-[(3-bromo-5-methylphenyl)methyl]phenothiazine is Cc1cc(Br)cc(CN2c3ccccc3Sc3ccccc32)c1.
What is the InChIKey of 10-[(3-bromo-5-methylphenyl)methyl]phenothiazine?
The InChIKey is VDOCMGCPMAPSSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16BrNS/c1-14-10-15(12-16(21)11-14)13-22-17-6-2-4-8-19(17)23-20-9-5-3-7-18(20)22/h2-12H,13H2,1H3.
What are the key properties of 10-[(3-bromo-5-methylphenyl)methyl]phenothiazine?
10-[(3-bromo-5-methylphenyl)methyl]phenothiazine has a molecular weight of 382.33 g/mol, XLogP of 6.56, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[(3-bromo-5-methylphenyl)methyl]phenothiazine is sourced from PubChem (CID 173259016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).