N-[(3-fluoro-2-methylphenyl)methyl]-10H-phenothiazin-2-amine

C20H17FN2S — CID 22664252

IUPACN-[(3-fluoro-2-methylphenyl)methyl]-10H-phenothiazin-2-amine
SMILESCc1c(F)cccc1CNc1ccc2c(c1)Nc1ccccc1S2
InChIInChI=1S/C20H17FN2S/c1-13-14(5-4-6-16(13)21)12-22-15-9-10-20-18(11-15)23-17-7-2-3-8-19(17)24-20/h2-11,22-23H,12H2,1H3
InChIKeyZWOVWEUEPUYVNU-UHFFFAOYSA-N
MW336.44 g/mol
LogP5.95
Rot. Bonds3

About N-[(3-fluoro-2-methylphenyl)methyl]-10H-phenothiazin-2-amine

N-[(3-fluoro-2-methylphenyl)methyl]-10H-phenothiazin-2-amine (PubChem CID 22664252) has the molecular formula C20H17FN2S and a molecular weight of 336.44 g/mol. Its IUPAC name is N-[(3-fluoro-2-methylphenyl)methyl]-10H-phenothiazin-2-amine.

Molecular Properties

Compound NameN-[(3-fluoro-2-methylphenyl)methyl]-10H-phenothiazin-2-amine
PubChem CID22664252
Molecular FormulaC20H17FN2S
Molecular Weight336.44 g/mol
Exact Mass336.11
IUPAC NameN-[(3-fluoro-2-methylphenyl)methyl]-10H-phenothiazin-2-amine
SMILESCc1c(F)cccc1CNc1ccc2c(c1)Nc1ccccc1S2
InChIInChI=1S/C20H17FN2S/c1-13-14(5-4-6-16(13)21)12-22-15-9-10-20-18(11-15)23-17-7-2-3-8-19(17)24-20/h2-11,22-23H,12H2,1H3
InChIKeyZWOVWEUEPUYVNU-UHFFFAOYSA-N
XLogP5.95
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.44
LogP ≤ 55.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-2-methylphenyl)methyl]-10H-phenothiazin-2-amine?
The IUPAC name of N-[(3-fluoro-2-methylphenyl)methyl]-10H-phenothiazin-2-amine (CID 22664252) is N-[(3-fluoro-2-methylphenyl)methyl]-10H-phenothiazin-2-amine.
What is the SMILES notation for N-[(3-fluoro-2-methylphenyl)methyl]-10H-phenothiazin-2-amine?
The canonical SMILES for N-[(3-fluoro-2-methylphenyl)methyl]-10H-phenothiazin-2-amine is Cc1c(F)cccc1CNc1ccc2c(c1)Nc1ccccc1S2.
What is the InChIKey of N-[(3-fluoro-2-methylphenyl)methyl]-10H-phenothiazin-2-amine?
The InChIKey is ZWOVWEUEPUYVNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2S/c1-13-14(5-4-6-16(13)21)12-22-15-9-10-20-18(11-15)23-17-7-2-3-8-19(17)24-20/h2-11,22-23H,12H2,1H3.
What are the key properties of N-[(3-fluoro-2-methylphenyl)methyl]-10H-phenothiazin-2-amine?
N-[(3-fluoro-2-methylphenyl)methyl]-10H-phenothiazin-2-amine has a molecular weight of 336.44 g/mol, XLogP of 5.95, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-2-methylphenyl)methyl]-10H-phenothiazin-2-amine is sourced from PubChem (CID 22664252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).