3-(10H-phenothiazin-1-yl)propan-1-amine

C15H16N2S — CID 57120152

IUPAC3-(10H-phenothiazin-1-yl)propan-1-amine
SMILESNCCCc1cccc2c1Nc1ccccc1S2
InChIInChI=1S/C15H16N2S/c16-10-4-6-11-5-3-9-14-15(11)17-12-7-1-2-8-13(12)18-14/h1-3,5,7-9,17H,4,6,10,16H2
InChIKeyCEDHJRXTTZNAQZ-UHFFFAOYSA-N
MW256.37 g/mol
LogP3.79
Rot. Bonds3

About 3-(10H-phenothiazin-1-yl)propan-1-amine

3-(10H-phenothiazin-1-yl)propan-1-amine (PubChem CID 57120152) has the molecular formula C15H16N2S and a molecular weight of 256.37 g/mol. Its IUPAC name is 3-(10H-phenothiazin-1-yl)propan-1-amine.

Molecular Properties

Compound Name3-(10H-phenothiazin-1-yl)propan-1-amine
PubChem CID57120152
Molecular FormulaC15H16N2S
Molecular Weight256.37 g/mol
Exact Mass256.10
IUPAC Name3-(10H-phenothiazin-1-yl)propan-1-amine
SMILESNCCCc1cccc2c1Nc1ccccc1S2
InChIInChI=1S/C15H16N2S/c16-10-4-6-11-5-3-9-14-15(11)17-12-7-1-2-8-13(12)18-14/h1-3,5,7-9,17H,4,6,10,16H2
InChIKeyCEDHJRXTTZNAQZ-UHFFFAOYSA-N
XLogP3.79
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(10H-phenothiazin-1-yl)propan-1-amine?
The IUPAC name of 3-(10H-phenothiazin-1-yl)propan-1-amine (CID 57120152) is 3-(10H-phenothiazin-1-yl)propan-1-amine.
What is the SMILES notation for 3-(10H-phenothiazin-1-yl)propan-1-amine?
The canonical SMILES for 3-(10H-phenothiazin-1-yl)propan-1-amine is NCCCc1cccc2c1Nc1ccccc1S2.
What is the InChIKey of 3-(10H-phenothiazin-1-yl)propan-1-amine?
The InChIKey is CEDHJRXTTZNAQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2S/c16-10-4-6-11-5-3-9-14-15(11)17-12-7-1-2-8-13(12)18-14/h1-3,5,7-9,17H,4,6,10,16H2.
What are the key properties of 3-(10H-phenothiazin-1-yl)propan-1-amine?
3-(10H-phenothiazin-1-yl)propan-1-amine has a molecular weight of 256.37 g/mol, XLogP of 3.79, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(10H-phenothiazin-1-yl)propan-1-amine is sourced from PubChem (CID 57120152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).