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

C25H28N2O2S — CID 18334458

IUPAC[2-[[2-(1,2-dimethyl-5-oxophenothiazin-10-yl)ethyl-methylamino]methyl]phenyl]methanol
SMILESCc1ccc2c(c1C)N(CCN(C)Cc1ccccc1CO)c1ccccc1S2=O
InChIInChI=1S/C25H28N2O2S/c1-18-12-13-24-25(19(18)2)27(22-10-6-7-11-23(22)30(24)29)15-14-26(3)16-20-8-4-5-9-21(20)17-28/h4-13,28H,14-17H2,1-3H3
InChIKeyYFWDPKJSZIJLBN-UHFFFAOYSA-N
MW420.58 g/mol
LogP4.55
Rot. Bonds6

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

[2-[[2-(1,2-dimethyl-5-oxophenothiazin-10-yl)ethyl-methylamino]methyl]phenyl]methanol (PubChem CID 18334458) has the molecular formula C25H28N2O2S and a molecular weight of 420.58 g/mol. Its IUPAC name is [2-[[2-(1,2-dimethyl-5-oxophenothiazin-10-yl)ethyl-methylamino]methyl]phenyl]methanol.

Molecular Properties

Compound Name[2-[[2-(1,2-dimethyl-5-oxophenothiazin-10-yl)ethyl-methylamino]methyl]phenyl]methanol
PubChem CID18334458
Molecular FormulaC25H28N2O2S
Molecular Weight420.58 g/mol
Exact Mass420.19
IUPAC Name[2-[[2-(1,2-dimethyl-5-oxophenothiazin-10-yl)ethyl-methylamino]methyl]phenyl]methanol
SMILESCc1ccc2c(c1C)N(CCN(C)Cc1ccccc1CO)c1ccccc1S2=O
InChIInChI=1S/C25H28N2O2S/c1-18-12-13-24-25(19(18)2)27(22-10-6-7-11-23(22)30(24)29)15-14-26(3)16-20-8-4-5-9-21(20)17-28/h4-13,28H,14-17H2,1-3H3
InChIKeyYFWDPKJSZIJLBN-UHFFFAOYSA-N
XLogP4.55
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.58
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[[2-(1,2-dimethyl-5-oxophenothiazin-10-yl)ethyl-methylamino]methyl]phenyl]methanol?
The IUPAC name of [2-[[2-(1,2-dimethyl-5-oxophenothiazin-10-yl)ethyl-methylamino]methyl]phenyl]methanol (CID 18334458) is [2-[[2-(1,2-dimethyl-5-oxophenothiazin-10-yl)ethyl-methylamino]methyl]phenyl]methanol.
What is the SMILES notation for [2-[[2-(1,2-dimethyl-5-oxophenothiazin-10-yl)ethyl-methylamino]methyl]phenyl]methanol?
The canonical SMILES for [2-[[2-(1,2-dimethyl-5-oxophenothiazin-10-yl)ethyl-methylamino]methyl]phenyl]methanol is Cc1ccc2c(c1C)N(CCN(C)Cc1ccccc1CO)c1ccccc1S2=O.
What is the InChIKey of [2-[[2-(1,2-dimethyl-5-oxophenothiazin-10-yl)ethyl-methylamino]methyl]phenyl]methanol?
The InChIKey is YFWDPKJSZIJLBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O2S/c1-18-12-13-24-25(19(18)2)27(22-10-6-7-11-23(22)30(24)29)15-14-26(3)16-20-8-4-5-9-21(20)17-28/h4-13,28H,14-17H2,1-3H3.
What are the key properties of [2-[[2-(1,2-dimethyl-5-oxophenothiazin-10-yl)ethyl-methylamino]methyl]phenyl]methanol?
[2-[[2-(1,2-dimethyl-5-oxophenothiazin-10-yl)ethyl-methylamino]methyl]phenyl]methanol has a molecular weight of 420.58 g/mol, XLogP of 4.55, 6 rotatable bonds, 1 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)ethyl-methylamino]methyl]phenyl]methanol is sourced from PubChem (CID 18334458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).