3-(7-fluoro-1,2-dimethyl-5-oxophenothiazin-10-yl)propan-1-amine

C17H19FN2OS — CID 18334565

IUPAC3-(7-fluoro-1,2-dimethyl-5-oxophenothiazin-10-yl)propan-1-amine
SMILESCc1ccc2c(c1C)N(CCCN)c1ccc(F)cc1S2=O
InChIInChI=1S/C17H19FN2OS/c1-11-4-7-15-17(12(11)2)20(9-3-8-19)14-6-5-13(18)10-16(14)22(15)21/h4-7,10H,3,8-9,19H2,1-2H3
InChIKeyBFWWGHJDXFGTKG-UHFFFAOYSA-N
MW318.42 g/mol
LogP3.41
Rot. Bonds3

About 3-(7-fluoro-1,2-dimethyl-5-oxophenothiazin-10-yl)propan-1-amine

3-(7-fluoro-1,2-dimethyl-5-oxophenothiazin-10-yl)propan-1-amine (PubChem CID 18334565) has the molecular formula C17H19FN2OS and a molecular weight of 318.42 g/mol. Its IUPAC name is 3-(7-fluoro-1,2-dimethyl-5-oxophenothiazin-10-yl)propan-1-amine.

Molecular Properties

Compound Name3-(7-fluoro-1,2-dimethyl-5-oxophenothiazin-10-yl)propan-1-amine
PubChem CID18334565
Molecular FormulaC17H19FN2OS
Molecular Weight318.42 g/mol
Exact Mass318.12
IUPAC Name3-(7-fluoro-1,2-dimethyl-5-oxophenothiazin-10-yl)propan-1-amine
SMILESCc1ccc2c(c1C)N(CCCN)c1ccc(F)cc1S2=O
InChIInChI=1S/C17H19FN2OS/c1-11-4-7-15-17(12(11)2)20(9-3-8-19)14-6-5-13(18)10-16(14)22(15)21/h4-7,10H,3,8-9,19H2,1-2H3
InChIKeyBFWWGHJDXFGTKG-UHFFFAOYSA-N
XLogP3.41
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(7-fluoro-1,2-dimethyl-5-oxophenothiazin-10-yl)propan-1-amine?
The IUPAC name of 3-(7-fluoro-1,2-dimethyl-5-oxophenothiazin-10-yl)propan-1-amine (CID 18334565) is 3-(7-fluoro-1,2-dimethyl-5-oxophenothiazin-10-yl)propan-1-amine.
What is the SMILES notation for 3-(7-fluoro-1,2-dimethyl-5-oxophenothiazin-10-yl)propan-1-amine?
The canonical SMILES for 3-(7-fluoro-1,2-dimethyl-5-oxophenothiazin-10-yl)propan-1-amine is Cc1ccc2c(c1C)N(CCCN)c1ccc(F)cc1S2=O.
What is the InChIKey of 3-(7-fluoro-1,2-dimethyl-5-oxophenothiazin-10-yl)propan-1-amine?
The InChIKey is BFWWGHJDXFGTKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2OS/c1-11-4-7-15-17(12(11)2)20(9-3-8-19)14-6-5-13(18)10-16(14)22(15)21/h4-7,10H,3,8-9,19H2,1-2H3.
What are the key properties of 3-(7-fluoro-1,2-dimethyl-5-oxophenothiazin-10-yl)propan-1-amine?
3-(7-fluoro-1,2-dimethyl-5-oxophenothiazin-10-yl)propan-1-amine has a molecular weight of 318.42 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-fluoro-1,2-dimethyl-5-oxophenothiazin-10-yl)propan-1-amine is sourced from PubChem (CID 18334565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).