10H-phenothiazin-2-ylmethanamine

C13H12N2S — CID 82680728

IUPAC10H-phenothiazin-2-ylmethanamine
SMILESNCc1ccc2c(c1)Nc1ccccc1S2
InChIInChI=1S/C13H12N2S/c14-8-9-5-6-13-11(7-9)15-10-3-1-2-4-12(10)16-13/h1-7,15H,8,14H2
InChIKeyXEXFPLDDNBBJHH-UHFFFAOYSA-N
MW228.32 g/mol
LogP3.35
Rot. Bonds1

About 10H-phenothiazin-2-ylmethanamine

10H-phenothiazin-2-ylmethanamine (PubChem CID 82680728) has the molecular formula C13H12N2S and a molecular weight of 228.32 g/mol. Its IUPAC name is 10H-phenothiazin-2-ylmethanamine.

Molecular Properties

Compound Name10H-phenothiazin-2-ylmethanamine
PubChem CID82680728
Molecular FormulaC13H12N2S
Molecular Weight228.32 g/mol
Exact Mass228.07
IUPAC Name10H-phenothiazin-2-ylmethanamine
SMILESNCc1ccc2c(c1)Nc1ccccc1S2
InChIInChI=1S/C13H12N2S/c14-8-9-5-6-13-11(7-9)15-10-3-1-2-4-12(10)16-13/h1-7,15H,8,14H2
InChIKeyXEXFPLDDNBBJHH-UHFFFAOYSA-N
XLogP3.35
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 10H-phenothiazin-2-ylmethanamine?
The IUPAC name of 10H-phenothiazin-2-ylmethanamine (CID 82680728) is 10H-phenothiazin-2-ylmethanamine.
What is the SMILES notation for 10H-phenothiazin-2-ylmethanamine?
The canonical SMILES for 10H-phenothiazin-2-ylmethanamine is NCc1ccc2c(c1)Nc1ccccc1S2.
What is the InChIKey of 10H-phenothiazin-2-ylmethanamine?
The InChIKey is XEXFPLDDNBBJHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2S/c14-8-9-5-6-13-11(7-9)15-10-3-1-2-4-12(10)16-13/h1-7,15H,8,14H2.
What are the key properties of 10H-phenothiazin-2-ylmethanamine?
10H-phenothiazin-2-ylmethanamine has a molecular weight of 228.32 g/mol, XLogP of 3.35, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10H-phenothiazin-2-ylmethanamine is sourced from PubChem (CID 82680728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).