N-[(3-fluoro-4-methoxyphenyl)methyl]-10H-phenothiazin-2-amine

C20H17FN2OS — CID 22664008

IUPACN-[(3-fluoro-4-methoxyphenyl)methyl]-10H-phenothiazin-2-amine
SMILESCOc1ccc(CNc2ccc3c(c2)Nc2ccccc2S3)cc1F
InChIInChI=1S/C20H17FN2OS/c1-24-18-8-6-13(10-15(18)21)12-22-14-7-9-20-17(11-14)23-16-4-2-3-5-19(16)25-20/h2-11,22-23H,12H2,1H3
InChIKeyGZYOIIUTAZBRSD-UHFFFAOYSA-N
MW352.43 g/mol
LogP5.65
Rot. Bonds4

About N-[(3-fluoro-4-methoxyphenyl)methyl]-10H-phenothiazin-2-amine

N-[(3-fluoro-4-methoxyphenyl)methyl]-10H-phenothiazin-2-amine (PubChem CID 22664008) has the molecular formula C20H17FN2OS and a molecular weight of 352.43 g/mol. Its IUPAC name is N-[(3-fluoro-4-methoxyphenyl)methyl]-10H-phenothiazin-2-amine.

Molecular Properties

Compound NameN-[(3-fluoro-4-methoxyphenyl)methyl]-10H-phenothiazin-2-amine
PubChem CID22664008
Molecular FormulaC20H17FN2OS
Molecular Weight352.43 g/mol
Exact Mass352.10
IUPAC NameN-[(3-fluoro-4-methoxyphenyl)methyl]-10H-phenothiazin-2-amine
SMILESCOc1ccc(CNc2ccc3c(c2)Nc2ccccc2S3)cc1F
InChIInChI=1S/C20H17FN2OS/c1-24-18-8-6-13(10-15(18)21)12-22-14-7-9-20-17(11-14)23-16-4-2-3-5-19(16)25-20/h2-11,22-23H,12H2,1H3
InChIKeyGZYOIIUTAZBRSD-UHFFFAOYSA-N
XLogP5.65
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.43
LogP ≤ 55.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(3-fluoro-4-methoxyphenyl)methyl]-10H-phenothiazin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3-fluoro-4-methoxyphenyl)methyl]-4-methoxy-3-methylaniline
CID 61059639
4-bromo-3-fluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]aniline
CID 65437481
2-chloro-4-N-[(3-fluoro-4-methoxyphenyl)methyl]-1-N,1-N-dimethylbenzene-1,4-diamine
CID 60934643
N-[(3-fluoro-4-methoxyphenyl)methyl]-4-(trifluoromethyl)aniline
CID 43235500
1-N-[(3-fluoro-4-methoxyphenyl)methyl]-3-N,3-N-dimethylbenzene-1,3-diamine
CID 78913928
3-[(3-fluoro-4-methoxyanilino)methyl]phenol
CID 43380515
N-[(2-aminophenyl)methyl]-3-fluoro-4-methoxyaniline
CID 66385653
4-chloro-N-[(3,4-difluorophenyl)methyl]-3-methoxyaniline
CID 107265964
3-[(3-fluoro-4-methoxyanilino)methyl]benzonitrile
CID 43380602
N-[(3-fluoro-4-methoxyphenyl)methyl]-4-methyl-3-nitroaniline
CID 60720615
3-fluoro-N-(1H-indol-3-ylmethyl)-4-methoxyaniline
CID 60980784
2,3,4-trifluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]aniline
CID 43090343

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-4-methoxyphenyl)methyl]-10H-phenothiazin-2-amine?
The IUPAC name of N-[(3-fluoro-4-methoxyphenyl)methyl]-10H-phenothiazin-2-amine (CID 22664008) is N-[(3-fluoro-4-methoxyphenyl)methyl]-10H-phenothiazin-2-amine.
What is the SMILES notation for N-[(3-fluoro-4-methoxyphenyl)methyl]-10H-phenothiazin-2-amine?
The canonical SMILES for N-[(3-fluoro-4-methoxyphenyl)methyl]-10H-phenothiazin-2-amine is COc1ccc(CNc2ccc3c(c2)Nc2ccccc2S3)cc1F.
What is the InChIKey of N-[(3-fluoro-4-methoxyphenyl)methyl]-10H-phenothiazin-2-amine?
The InChIKey is GZYOIIUTAZBRSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2OS/c1-24-18-8-6-13(10-15(18)21)12-22-14-7-9-20-17(11-14)23-16-4-2-3-5-19(16)25-20/h2-11,22-23H,12H2,1H3.
What are the key properties of N-[(3-fluoro-4-methoxyphenyl)methyl]-10H-phenothiazin-2-amine?
N-[(3-fluoro-4-methoxyphenyl)methyl]-10H-phenothiazin-2-amine has a molecular weight of 352.43 g/mol, XLogP of 5.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-4-methoxyphenyl)methyl]-10H-phenothiazin-2-amine is sourced from PubChem (CID 22664008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).