[2-[[2-(1,2-dimethyl-5-oxophenothiazin-10-yl)ethylamino]methyl]phenyl]methanol

C24H26N2O2S — CID 18334452

IUPAC[2-[[2-(1,2-dimethyl-5-oxophenothiazin-10-yl)ethylamino]methyl]phenyl]methanol
SMILESCc1ccc2c(c1C)N(CCNCc1ccccc1CO)c1ccccc1S2=O
InChIInChI=1S/C24H26N2O2S/c1-17-11-12-23-24(18(17)2)26(21-9-5-6-10-22(21)29(23)28)14-13-25-15-19-7-3-4-8-20(19)16-27/h3-12,25,27H,13-16H2,1-2H3
InChIKeyQOWYIKFGKLRTHO-UHFFFAOYSA-N
MW406.55 g/mol
LogP4.20
Rot. Bonds6

About [2-[[2-(1,2-dimethyl-5-oxophenothiazin-10-yl)ethylamino]methyl]phenyl]methanol

[2-[[2-(1,2-dimethyl-5-oxophenothiazin-10-yl)ethylamino]methyl]phenyl]methanol (PubChem CID 18334452) has the molecular formula C24H26N2O2S and a molecular weight of 406.55 g/mol. Its IUPAC name is [2-[[2-(1,2-dimethyl-5-oxophenothiazin-10-yl)ethylamino]methyl]phenyl]methanol.

Molecular Properties

Compound Name[2-[[2-(1,2-dimethyl-5-oxophenothiazin-10-yl)ethylamino]methyl]phenyl]methanol
PubChem CID18334452
Molecular FormulaC24H26N2O2S
Molecular Weight406.55 g/mol
Exact Mass406.17
IUPAC Name[2-[[2-(1,2-dimethyl-5-oxophenothiazin-10-yl)ethylamino]methyl]phenyl]methanol
SMILESCc1ccc2c(c1C)N(CCNCc1ccccc1CO)c1ccccc1S2=O
InChIInChI=1S/C24H26N2O2S/c1-17-11-12-23-24(18(17)2)26(21-9-5-6-10-22(21)29(23)28)14-13-25-15-19-7-3-4-8-20(19)16-27/h3-12,25,27H,13-16H2,1-2H3
InChIKeyQOWYIKFGKLRTHO-UHFFFAOYSA-N
XLogP4.20
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.55
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze [2-[[2-(1,2-dimethyl-5-oxophenothiazin-10-yl)ethylamino]methyl]phenyl]methanol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-[[2-(1,2-dimethyl-5-oxophenothiazin-10-yl)ethylamino]methyl]phenyl]methanol?
The IUPAC name of [2-[[2-(1,2-dimethyl-5-oxophenothiazin-10-yl)ethylamino]methyl]phenyl]methanol (CID 18334452) is [2-[[2-(1,2-dimethyl-5-oxophenothiazin-10-yl)ethylamino]methyl]phenyl]methanol.
What is the SMILES notation for [2-[[2-(1,2-dimethyl-5-oxophenothiazin-10-yl)ethylamino]methyl]phenyl]methanol?
The canonical SMILES for [2-[[2-(1,2-dimethyl-5-oxophenothiazin-10-yl)ethylamino]methyl]phenyl]methanol is Cc1ccc2c(c1C)N(CCNCc1ccccc1CO)c1ccccc1S2=O.
What is the InChIKey of [2-[[2-(1,2-dimethyl-5-oxophenothiazin-10-yl)ethylamino]methyl]phenyl]methanol?
The InChIKey is QOWYIKFGKLRTHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O2S/c1-17-11-12-23-24(18(17)2)26(21-9-5-6-10-22(21)29(23)28)14-13-25-15-19-7-3-4-8-20(19)16-27/h3-12,25,27H,13-16H2,1-2H3.
What are the key properties of [2-[[2-(1,2-dimethyl-5-oxophenothiazin-10-yl)ethylamino]methyl]phenyl]methanol?
[2-[[2-(1,2-dimethyl-5-oxophenothiazin-10-yl)ethylamino]methyl]phenyl]methanol has a molecular weight of 406.55 g/mol, XLogP of 4.20, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[2-(1,2-dimethyl-5-oxophenothiazin-10-yl)ethylamino]methyl]phenyl]methanol is sourced from PubChem (CID 18334452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).