N-methyl-1-phenothiazin-10-yl-N-(trideuteriomethyl)propan-2-amine

C17H20N2S — CID 46219426

IUPACN-methyl-1-phenothiazin-10-yl-N-(trideuteriomethyl)propan-2-amine
SMILES[2H]C([2H])([2H])N(C)C(C)CN1c2ccccc2Sc2ccccc21
InChIInChI=1S/C17H20N2S/c1-13(18(2)3)12-19-14-8-4-6-10-16(14)20-17-11-7-5-9-15(17)19/h4-11,13H,12H2,1-3H3/i2D3
InChIKeyPWWVAXIEGOYWEE-BMSJAHLVSA-N
MW287.45 g/mol
LogP4.24
Rot. Bonds4

About N-methyl-1-phenothiazin-10-yl-N-(trideuteriomethyl)propan-2-amine

N-methyl-1-phenothiazin-10-yl-N-(trideuteriomethyl)propan-2-amine (PubChem CID 46219426) has the molecular formula C17H20N2S and a molecular weight of 287.45 g/mol. Its IUPAC name is N-methyl-1-phenothiazin-10-yl-N-(trideuteriomethyl)propan-2-amine.

Molecular Properties

Compound NameN-methyl-1-phenothiazin-10-yl-N-(trideuteriomethyl)propan-2-amine
PubChem CID46219426
Molecular FormulaC17H20N2S
Molecular Weight287.45 g/mol
Exact Mass287.15
IUPAC NameN-methyl-1-phenothiazin-10-yl-N-(trideuteriomethyl)propan-2-amine
SMILES[2H]C([2H])([2H])N(C)C(C)CN1c2ccccc2Sc2ccccc21
InChIInChI=1S/C17H20N2S/c1-13(18(2)3)12-19-14-8-4-6-10-16(14)20-17-11-7-5-9-15(17)19/h4-11,13H,12H2,1-3H3/i2D3
InChIKeyPWWVAXIEGOYWEE-BMSJAHLVSA-N
XLogP4.24
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_thio_666_A(13)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-phenothiazin-10-yl-N-(trideuteriomethyl)propan-2-amine?
The IUPAC name of N-methyl-1-phenothiazin-10-yl-N-(trideuteriomethyl)propan-2-amine (CID 46219426) is N-methyl-1-phenothiazin-10-yl-N-(trideuteriomethyl)propan-2-amine.
What is the SMILES notation for N-methyl-1-phenothiazin-10-yl-N-(trideuteriomethyl)propan-2-amine?
The canonical SMILES for N-methyl-1-phenothiazin-10-yl-N-(trideuteriomethyl)propan-2-amine is [2H]C([2H])([2H])N(C)C(C)CN1c2ccccc2Sc2ccccc21.
What is the InChIKey of N-methyl-1-phenothiazin-10-yl-N-(trideuteriomethyl)propan-2-amine?
The InChIKey is PWWVAXIEGOYWEE-BMSJAHLVSA-N. The full InChI is InChI=1S/C17H20N2S/c1-13(18(2)3)12-19-14-8-4-6-10-16(14)20-17-11-7-5-9-15(17)19/h4-11,13H,12H2,1-3H3/i2D3.
What are the key properties of N-methyl-1-phenothiazin-10-yl-N-(trideuteriomethyl)propan-2-amine?
N-methyl-1-phenothiazin-10-yl-N-(trideuteriomethyl)propan-2-amine has a molecular weight of 287.45 g/mol, XLogP of 4.24, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-phenothiazin-10-yl-N-(trideuteriomethyl)propan-2-amine is sourced from PubChem (CID 46219426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).