7-methoxy-10-methylphenothiazin-3-amine

C14H14N2OS — CID 70686557

IUPAC7-methoxy-10-methylphenothiazin-3-amine
SMILESCOc1ccc2c(c1)Sc1cc(N)ccc1N2C
InChIInChI=1S/C14H14N2OS/c1-16-11-5-3-9(15)7-13(11)18-14-8-10(17-2)4-6-12(14)16/h3-8H,15H2,1-2H3
InChIKeyMFTXIGCZNMOPDK-UHFFFAOYSA-N
MW258.35 g/mol
LogP3.51
Rot. Bonds1

About 7-methoxy-10-methylphenothiazin-3-amine

7-methoxy-10-methylphenothiazin-3-amine (PubChem CID 70686557) has the molecular formula C14H14N2OS and a molecular weight of 258.35 g/mol. Its IUPAC name is 7-methoxy-10-methylphenothiazin-3-amine.

Molecular Properties

Compound Name7-methoxy-10-methylphenothiazin-3-amine
PubChem CID70686557
Molecular FormulaC14H14N2OS
Molecular Weight258.35 g/mol
Exact Mass258.08
IUPAC Name7-methoxy-10-methylphenothiazin-3-amine
SMILESCOc1ccc2c(c1)Sc1cc(N)ccc1N2C
InChIInChI=1S/C14H14N2OS/c1-16-11-5-3-9(15)7-13(11)18-14-8-10(17-2)4-6-12(14)16/h3-8H,15H2,1-2H3
InChIKeyMFTXIGCZNMOPDK-UHFFFAOYSA-N
XLogP3.51
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-10-methylphenothiazin-3-amine?
The IUPAC name of 7-methoxy-10-methylphenothiazin-3-amine (CID 70686557) is 7-methoxy-10-methylphenothiazin-3-amine.
What is the SMILES notation for 7-methoxy-10-methylphenothiazin-3-amine?
The canonical SMILES for 7-methoxy-10-methylphenothiazin-3-amine is COc1ccc2c(c1)Sc1cc(N)ccc1N2C.
What is the InChIKey of 7-methoxy-10-methylphenothiazin-3-amine?
The InChIKey is MFTXIGCZNMOPDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2OS/c1-16-11-5-3-9(15)7-13(11)18-14-8-10(17-2)4-6-12(14)16/h3-8H,15H2,1-2H3.
What are the key properties of 7-methoxy-10-methylphenothiazin-3-amine?
7-methoxy-10-methylphenothiazin-3-amine has a molecular weight of 258.35 g/mol, XLogP of 3.51, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-10-methylphenothiazin-3-amine is sourced from PubChem (CID 70686557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).