N,N-diethyl-1-phenothiazin-10-ylpropan-2-amine;dihydrochloride

C19H26Cl2N2S — CID 23615719

IUPACN,N-diethyl-1-phenothiazin-10-ylpropan-2-amine;dihydrochloride
SMILESCCN(CC)C(C)CN1c2ccccc2Sc2ccccc21.Cl.Cl
InChIInChI=1S/C19H24N2S.2ClH/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;2*1H
InChIKeyIRKNTIDIDZGUPZ-UHFFFAOYSA-N
MW385.40 g/mol
LogP5.86
Rot. Bonds5

About N,N-diethyl-1-phenothiazin-10-ylpropan-2-amine;dihydrochloride

N,N-diethyl-1-phenothiazin-10-ylpropan-2-amine;dihydrochloride (PubChem CID 23615719) has the molecular formula C19H26Cl2N2S and a molecular weight of 385.40 g/mol. Its IUPAC name is N,N-diethyl-1-phenothiazin-10-ylpropan-2-amine;dihydrochloride.

Molecular Properties

Compound NameN,N-diethyl-1-phenothiazin-10-ylpropan-2-amine;dihydrochloride
PubChem CID23615719
Molecular FormulaC19H26Cl2N2S
Molecular Weight385.40 g/mol
Exact Mass384.12
IUPAC NameN,N-diethyl-1-phenothiazin-10-ylpropan-2-amine;dihydrochloride
SMILESCCN(CC)C(C)CN1c2ccccc2Sc2ccccc21.Cl.Cl
InChIInChI=1S/C19H24N2S.2ClH/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;2*1H
InChIKeyIRKNTIDIDZGUPZ-UHFFFAOYSA-N
XLogP5.86
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.40
LogP ≤ 55.86
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,N-diethyl-1-phenothiazin-10-ylpropan-2-amine;dihydrochloride?
The IUPAC name of N,N-diethyl-1-phenothiazin-10-ylpropan-2-amine;dihydrochloride (CID 23615719) is N,N-diethyl-1-phenothiazin-10-ylpropan-2-amine;dihydrochloride.
What is the SMILES notation for N,N-diethyl-1-phenothiazin-10-ylpropan-2-amine;dihydrochloride?
The canonical SMILES for N,N-diethyl-1-phenothiazin-10-ylpropan-2-amine;dihydrochloride is CCN(CC)C(C)CN1c2ccccc2Sc2ccccc21.Cl.Cl.
What is the InChIKey of N,N-diethyl-1-phenothiazin-10-ylpropan-2-amine;dihydrochloride?
The InChIKey is IRKNTIDIDZGUPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2S.2ClH/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;2*1H.
What are the key properties of N,N-diethyl-1-phenothiazin-10-ylpropan-2-amine;dihydrochloride?
N,N-diethyl-1-phenothiazin-10-ylpropan-2-amine;dihydrochloride has a molecular weight of 385.40 g/mol, XLogP of 5.86, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-phenothiazin-10-ylpropan-2-amine;dihydrochloride is sourced from PubChem (CID 23615719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).