(2R)-N,N,2-trimethyl-3-phenothiazin-10-ylpropan-1-amine

C18H22N2S — CID 15558621

IUPAC(2R)-N,N,2-trimethyl-3-phenothiazin-10-ylpropan-1-amine
SMILESC[C@H](CN(C)C)CN1c2ccccc2Sc2ccccc21
InChIInChI=1S/C18H22N2S/c1-14(12-19(2)3)13-20-15-8-4-6-10-17(15)21-18-11-7-5-9-16(18)20/h4-11,14H,12-13H2,1-3H3/t14-/m1/s1
InChIKeyZZHLYYDVIOPZBE-CQSZACIVSA-N
MW298.45 g/mol
LogP4.49
Rot. Bonds4

About (2R)-N,N,2-trimethyl-3-phenothiazin-10-ylpropan-1-amine

(2R)-N,N,2-trimethyl-3-phenothiazin-10-ylpropan-1-amine (PubChem CID 15558621) has the molecular formula C18H22N2S and a molecular weight of 298.45 g/mol. Its IUPAC name is (2R)-N,N,2-trimethyl-3-phenothiazin-10-ylpropan-1-amine.

Molecular Properties

Compound Name(2R)-N,N,2-trimethyl-3-phenothiazin-10-ylpropan-1-amine
PubChem CID15558621
Molecular FormulaC18H22N2S
Molecular Weight298.45 g/mol
Exact Mass298.15
IUPAC Name(2R)-N,N,2-trimethyl-3-phenothiazin-10-ylpropan-1-amine
SMILESC[C@H](CN(C)C)CN1c2ccccc2Sc2ccccc21
InChIInChI=1S/C18H22N2S/c1-14(12-19(2)3)13-20-15-8-4-6-10-17(15)21-18-11-7-5-9-16(18)20/h4-11,14H,12-13H2,1-3H3/t14-/m1/s1
InChIKeyZZHLYYDVIOPZBE-CQSZACIVSA-N
XLogP4.49
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.45
LogP ≤ 54.49
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 (2R)-N,N,2-trimethyl-3-phenothiazin-10-ylpropan-1-amine?
The IUPAC name of (2R)-N,N,2-trimethyl-3-phenothiazin-10-ylpropan-1-amine (CID 15558621) is (2R)-N,N,2-trimethyl-3-phenothiazin-10-ylpropan-1-amine.
What is the SMILES notation for (2R)-N,N,2-trimethyl-3-phenothiazin-10-ylpropan-1-amine?
The canonical SMILES for (2R)-N,N,2-trimethyl-3-phenothiazin-10-ylpropan-1-amine is C[C@H](CN(C)C)CN1c2ccccc2Sc2ccccc21.
What is the InChIKey of (2R)-N,N,2-trimethyl-3-phenothiazin-10-ylpropan-1-amine?
The InChIKey is ZZHLYYDVIOPZBE-CQSZACIVSA-N. The full InChI is InChI=1S/C18H22N2S/c1-14(12-19(2)3)13-20-15-8-4-6-10-17(15)21-18-11-7-5-9-16(18)20/h4-11,14H,12-13H2,1-3H3/t14-/m1/s1.
What are the key properties of (2R)-N,N,2-trimethyl-3-phenothiazin-10-ylpropan-1-amine?
(2R)-N,N,2-trimethyl-3-phenothiazin-10-ylpropan-1-amine has a molecular weight of 298.45 g/mol, XLogP of 4.49, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N,N,2-trimethyl-3-phenothiazin-10-ylpropan-1-amine is sourced from PubChem (CID 15558621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).