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

C16H18N2S — CID 28315

IUPACN-methyl-3-phenothiazin-10-ylpropan-1-amine
SMILESCNCCCN1c2ccccc2Sc2ccccc21
InChIInChI=1S/C16H18N2S/c1-17-11-6-12-18-13-7-2-4-9-15(13)19-16-10-5-3-8-14(16)18/h2-5,7-10,17H,6,11-12H2,1H3
InChIKeyWOCOVPRTRIBGFZ-UHFFFAOYSA-N
MW270.40 g/mol
LogP3.90
Rot. Bonds4

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

N-methyl-3-phenothiazin-10-ylpropan-1-amine (PubChem CID 28315) has the molecular formula C16H18N2S and a molecular weight of 270.40 g/mol. Its IUPAC name is N-methyl-3-phenothiazin-10-ylpropan-1-amine.

Molecular Properties

Compound NameN-methyl-3-phenothiazin-10-ylpropan-1-amine
PubChem CID28315
Molecular FormulaC16H18N2S
Molecular Weight270.40 g/mol
Exact Mass270.12
IUPAC NameN-methyl-3-phenothiazin-10-ylpropan-1-amine
SMILESCNCCCN1c2ccccc2Sc2ccccc21
InChIInChI=1S/C16H18N2S/c1-17-11-6-12-18-13-7-2-4-9-15(13)19-16-10-5-3-8-14(16)18/h2-5,7-10,17H,6,11-12H2,1H3
InChIKeyWOCOVPRTRIBGFZ-UHFFFAOYSA-N
XLogP3.90
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 53.90
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-methyl-3-phenothiazin-10-ylpropan-1-amine?
The IUPAC name of N-methyl-3-phenothiazin-10-ylpropan-1-amine (CID 28315) is N-methyl-3-phenothiazin-10-ylpropan-1-amine.
What is the SMILES notation for N-methyl-3-phenothiazin-10-ylpropan-1-amine?
The canonical SMILES for N-methyl-3-phenothiazin-10-ylpropan-1-amine is CNCCCN1c2ccccc2Sc2ccccc21.
What is the InChIKey of N-methyl-3-phenothiazin-10-ylpropan-1-amine?
The InChIKey is WOCOVPRTRIBGFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2S/c1-17-11-6-12-18-13-7-2-4-9-15(13)19-16-10-5-3-8-14(16)18/h2-5,7-10,17H,6,11-12H2,1H3.
What are the key properties of N-methyl-3-phenothiazin-10-ylpropan-1-amine?
N-methyl-3-phenothiazin-10-ylpropan-1-amine has a molecular weight of 270.40 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-phenothiazin-10-ylpropan-1-amine is sourced from PubChem (CID 28315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).