N-ethyl-3-phenothiazin-10-ylpropan-1-amine

C17H20N2S — CID 61387618

IUPACN-ethyl-3-phenothiazin-10-ylpropan-1-amine
SMILESCCNCCCN1c2ccccc2Sc2ccccc21
InChIInChI=1S/C17H20N2S/c1-2-18-12-7-13-19-14-8-3-5-10-16(14)20-17-11-6-4-9-15(17)19/h3-6,8-11,18H,2,7,12-13H2,1H3
InChIKeyYKNMZKBRIRKRAO-UHFFFAOYSA-N
MW284.43 g/mol
LogP4.29
Rot. Bonds5

About N-ethyl-3-phenothiazin-10-ylpropan-1-amine

N-ethyl-3-phenothiazin-10-ylpropan-1-amine (PubChem CID 61387618) has the molecular formula C17H20N2S and a molecular weight of 284.43 g/mol. Its IUPAC name is N-ethyl-3-phenothiazin-10-ylpropan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-phenothiazin-10-ylpropan-1-amine
PubChem CID61387618
Molecular FormulaC17H20N2S
Molecular Weight284.43 g/mol
Exact Mass284.13
IUPAC NameN-ethyl-3-phenothiazin-10-ylpropan-1-amine
SMILESCCNCCCN1c2ccccc2Sc2ccccc21
InChIInChI=1S/C17H20N2S/c1-2-18-12-7-13-19-14-8-3-5-10-16(14)20-17-11-6-4-9-15(17)19/h3-6,8-11,18H,2,7,12-13H2,1H3
InChIKeyYKNMZKBRIRKRAO-UHFFFAOYSA-N
XLogP4.29
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-phenothiazin-10-ylpropan-1-amine?
The IUPAC name of N-ethyl-3-phenothiazin-10-ylpropan-1-amine (CID 61387618) is N-ethyl-3-phenothiazin-10-ylpropan-1-amine.
What is the SMILES notation for N-ethyl-3-phenothiazin-10-ylpropan-1-amine?
The canonical SMILES for N-ethyl-3-phenothiazin-10-ylpropan-1-amine is CCNCCCN1c2ccccc2Sc2ccccc21.
What is the InChIKey of N-ethyl-3-phenothiazin-10-ylpropan-1-amine?
The InChIKey is YKNMZKBRIRKRAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2S/c1-2-18-12-7-13-19-14-8-3-5-10-16(14)20-17-11-6-4-9-15(17)19/h3-6,8-11,18H,2,7,12-13H2,1H3.
What are the key properties of N-ethyl-3-phenothiazin-10-ylpropan-1-amine?
N-ethyl-3-phenothiazin-10-ylpropan-1-amine has a molecular weight of 284.43 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-phenothiazin-10-ylpropan-1-amine is sourced from PubChem (CID 61387618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).