N-benzyl-N-methyl-4-phenothiazin-10-ylbutan-1-amine

C24H26N2S — CID 11824922

IUPACN-benzyl-N-methyl-4-phenothiazin-10-ylbutan-1-amine
SMILESCN(CCCCN1c2ccccc2Sc2ccccc21)Cc1ccccc1
InChIInChI=1S/C24H26N2S/c1-25(19-20-11-3-2-4-12-20)17-9-10-18-26-21-13-5-7-15-23(21)27-24-16-8-6-14-22(24)26/h2-8,11-16H,9-10,17-19H2,1H3
InChIKeyQUBIIFLNSZKWIJ-UHFFFAOYSA-N
MW374.55 g/mol
LogP6.20
Rot. Bonds7

About N-benzyl-N-methyl-4-phenothiazin-10-ylbutan-1-amine

N-benzyl-N-methyl-4-phenothiazin-10-ylbutan-1-amine (PubChem CID 11824922) has the molecular formula C24H26N2S and a molecular weight of 374.55 g/mol. Its IUPAC name is N-benzyl-N-methyl-4-phenothiazin-10-ylbutan-1-amine.

Molecular Properties

Compound NameN-benzyl-N-methyl-4-phenothiazin-10-ylbutan-1-amine
PubChem CID11824922
Molecular FormulaC24H26N2S
Molecular Weight374.55 g/mol
Exact Mass374.18
IUPAC NameN-benzyl-N-methyl-4-phenothiazin-10-ylbutan-1-amine
SMILESCN(CCCCN1c2ccccc2Sc2ccccc21)Cc1ccccc1
InChIInChI=1S/C24H26N2S/c1-25(19-20-11-3-2-4-12-20)17-9-10-18-26-21-13-5-7-15-23(21)27-24-16-8-6-14-22(24)26/h2-8,11-16H,9-10,17-19H2,1H3
InChIKeyQUBIIFLNSZKWIJ-UHFFFAOYSA-N
XLogP6.20
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.55
LogP ≤ 56.20
H-Bond Donors ≤ 50
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-benzyl-N-methyl-4-phenothiazin-10-ylbutan-1-amine?
The IUPAC name of N-benzyl-N-methyl-4-phenothiazin-10-ylbutan-1-amine (CID 11824922) is N-benzyl-N-methyl-4-phenothiazin-10-ylbutan-1-amine.
What is the SMILES notation for N-benzyl-N-methyl-4-phenothiazin-10-ylbutan-1-amine?
The canonical SMILES for N-benzyl-N-methyl-4-phenothiazin-10-ylbutan-1-amine is CN(CCCCN1c2ccccc2Sc2ccccc21)Cc1ccccc1.
What is the InChIKey of N-benzyl-N-methyl-4-phenothiazin-10-ylbutan-1-amine?
The InChIKey is QUBIIFLNSZKWIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2S/c1-25(19-20-11-3-2-4-12-20)17-9-10-18-26-21-13-5-7-15-23(21)27-24-16-8-6-14-22(24)26/h2-8,11-16H,9-10,17-19H2,1H3.
What are the key properties of N-benzyl-N-methyl-4-phenothiazin-10-ylbutan-1-amine?
N-benzyl-N-methyl-4-phenothiazin-10-ylbutan-1-amine has a molecular weight of 374.55 g/mol, XLogP of 6.20, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-4-phenothiazin-10-ylbutan-1-amine is sourced from PubChem (CID 11824922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).