7-methoxy-N,N,10-trimethylphenothiazin-3-amine

C16H18N2OS — CID 21254490

IUPAC7-methoxy-N,N,10-trimethylphenothiazin-3-amine
SMILESCOc1ccc2c(c1)Sc1cc(N(C)C)ccc1N2C
InChIInChI=1S/C16H18N2OS/c1-17(2)11-5-7-13-15(9-11)20-16-10-12(19-4)6-8-14(16)18(13)3/h5-10H,1-4H3
InChIKeyNJSPPECWSHBLKO-UHFFFAOYSA-N
MW286.40 g/mol
LogP3.99
Rot. Bonds2

About 7-methoxy-N,N,10-trimethylphenothiazin-3-amine

7-methoxy-N,N,10-trimethylphenothiazin-3-amine (PubChem CID 21254490) has the molecular formula C16H18N2OS and a molecular weight of 286.40 g/mol. Its IUPAC name is 7-methoxy-N,N,10-trimethylphenothiazin-3-amine.

Molecular Properties

Compound Name7-methoxy-N,N,10-trimethylphenothiazin-3-amine
PubChem CID21254490
Molecular FormulaC16H18N2OS
Molecular Weight286.40 g/mol
Exact Mass286.11
IUPAC Name7-methoxy-N,N,10-trimethylphenothiazin-3-amine
SMILESCOc1ccc2c(c1)Sc1cc(N(C)C)ccc1N2C
InChIInChI=1S/C16H18N2OS/c1-17(2)11-5-7-13-15(9-11)20-16-10-12(19-4)6-8-14(16)18(13)3/h5-10H,1-4H3
InChIKeyNJSPPECWSHBLKO-UHFFFAOYSA-N
XLogP3.99
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-N,N,10-trimethylphenothiazin-3-amine?
The IUPAC name of 7-methoxy-N,N,10-trimethylphenothiazin-3-amine (CID 21254490) is 7-methoxy-N,N,10-trimethylphenothiazin-3-amine.
What is the SMILES notation for 7-methoxy-N,N,10-trimethylphenothiazin-3-amine?
The canonical SMILES for 7-methoxy-N,N,10-trimethylphenothiazin-3-amine is COc1ccc2c(c1)Sc1cc(N(C)C)ccc1N2C.
What is the InChIKey of 7-methoxy-N,N,10-trimethylphenothiazin-3-amine?
The InChIKey is NJSPPECWSHBLKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2OS/c1-17(2)11-5-7-13-15(9-11)20-16-10-12(19-4)6-8-14(16)18(13)3/h5-10H,1-4H3.
What are the key properties of 7-methoxy-N,N,10-trimethylphenothiazin-3-amine?
7-methoxy-N,N,10-trimethylphenothiazin-3-amine has a molecular weight of 286.40 g/mol, XLogP of 3.99, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-N,N,10-trimethylphenothiazin-3-amine is sourced from PubChem (CID 21254490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).