(2S)-N,N-diethyl-1-phenothiazin-10-ylpropan-2-amine

C19H24N2S — CID 667534

IUPAC(2S)-N,N-diethyl-1-phenothiazin-10-ylpropan-2-amine
SMILESCCN(CC)[C@@H](C)CN1c2ccccc2Sc2ccccc21
InChIInChI=1S/C19H24N2S/c1-4-20(5-2)15(3)14-21-16-10-6-8-12-18(16)22-19-13-9-7-11-17(19)21/h6-13,15H,4-5,14H2,1-3H3/t15-/m0/s1
InChIKeyCDOZDBSBBXSXLB-HNNXBMFYSA-N
MW312.48 g/mol
LogP5.02
Rot. Bonds5

About (2S)-N,N-diethyl-1-phenothiazin-10-ylpropan-2-amine

(2S)-N,N-diethyl-1-phenothiazin-10-ylpropan-2-amine (PubChem CID 667534) has the molecular formula C19H24N2S and a molecular weight of 312.48 g/mol. Its IUPAC name is (2S)-N,N-diethyl-1-phenothiazin-10-ylpropan-2-amine.

Molecular Properties

Compound Name(2S)-N,N-diethyl-1-phenothiazin-10-ylpropan-2-amine
PubChem CID667534
Molecular FormulaC19H24N2S
Molecular Weight312.48 g/mol
Exact Mass312.17
IUPAC Name(2S)-N,N-diethyl-1-phenothiazin-10-ylpropan-2-amine
SMILESCCN(CC)[C@@H](C)CN1c2ccccc2Sc2ccccc21
InChIInChI=1S/C19H24N2S/c1-4-20(5-2)15(3)14-21-16-10-6-8-12-18(16)22-19-13-9-7-11-17(19)21/h6-13,15H,4-5,14H2,1-3H3/t15-/m0/s1
InChIKeyCDOZDBSBBXSXLB-HNNXBMFYSA-N
XLogP5.02
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.48
LogP ≤ 55.02
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 (2S)-N,N-diethyl-1-phenothiazin-10-ylpropan-2-amine?
The IUPAC name of (2S)-N,N-diethyl-1-phenothiazin-10-ylpropan-2-amine (CID 667534) is (2S)-N,N-diethyl-1-phenothiazin-10-ylpropan-2-amine.
What is the SMILES notation for (2S)-N,N-diethyl-1-phenothiazin-10-ylpropan-2-amine?
The canonical SMILES for (2S)-N,N-diethyl-1-phenothiazin-10-ylpropan-2-amine is CCN(CC)[C@@H](C)CN1c2ccccc2Sc2ccccc21.
What is the InChIKey of (2S)-N,N-diethyl-1-phenothiazin-10-ylpropan-2-amine?
The InChIKey is CDOZDBSBBXSXLB-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H24N2S/c1-4-20(5-2)15(3)14-21-16-10-6-8-12-18(16)22-19-13-9-7-11-17(19)21/h6-13,15H,4-5,14H2,1-3H3/t15-/m0/s1.
What are the key properties of (2S)-N,N-diethyl-1-phenothiazin-10-ylpropan-2-amine?
(2S)-N,N-diethyl-1-phenothiazin-10-ylpropan-2-amine has a molecular weight of 312.48 g/mol, XLogP of 5.02, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N,N-diethyl-1-phenothiazin-10-ylpropan-2-amine is sourced from PubChem (CID 667534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).