[4-[[7-(trifluoromethyl)phenothiazin-3-ylidene]amino]phenyl]methanamine

C20H14F3N3S — CID 10150554

IUPAC[4-[[7-(trifluoromethyl)phenothiazin-3-ylidene]amino]phenyl]methanamine
SMILESNCc1ccc(/N=c2\ccc3nc4ccc(C(F)(F)F)cc4sc-3c2)cc1
InChIInChI=1S/C20H14F3N3S/c21-20(22,23)13-3-7-16-18(9-13)27-19-10-15(6-8-17(19)26-16)25-14-4-1-12(11-24)2-5-14/h1-10H,11,24H2/b25-15+
InChIKeyZMFSFQICJUKPMZ-MFKUBSTISA-N
MW385.41 g/mol
LogP5.11
Rot. Bonds2

About [4-[[7-(trifluoromethyl)phenothiazin-3-ylidene]amino]phenyl]methanamine

[4-[[7-(trifluoromethyl)phenothiazin-3-ylidene]amino]phenyl]methanamine (PubChem CID 10150554) has the molecular formula C20H14F3N3S and a molecular weight of 385.41 g/mol. Its IUPAC name is [4-[[7-(trifluoromethyl)phenothiazin-3-ylidene]amino]phenyl]methanamine.

Molecular Properties

Compound Name[4-[[7-(trifluoromethyl)phenothiazin-3-ylidene]amino]phenyl]methanamine
PubChem CID10150554
Molecular FormulaC20H14F3N3S
Molecular Weight385.41 g/mol
Exact Mass385.09
IUPAC Name[4-[[7-(trifluoromethyl)phenothiazin-3-ylidene]amino]phenyl]methanamine
SMILESNCc1ccc(/N=c2\ccc3nc4ccc(C(F)(F)F)cc4sc-3c2)cc1
InChIInChI=1S/C20H14F3N3S/c21-20(22,23)13-3-7-16-18(9-13)27-19-10-15(6-8-17(19)26-16)25-14-4-1-12(11-24)2-5-14/h1-10H,11,24H2/b25-15+
InChIKeyZMFSFQICJUKPMZ-MFKUBSTISA-N
XLogP5.11
TPSA51.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.41
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze [4-[[7-(trifluoromethyl)phenothiazin-3-ylidene]amino]phenyl]methanamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-[[7-(trifluoromethyl)phenothiazin-3-ylidene]amino]phenyl]methanamine?
The IUPAC name of [4-[[7-(trifluoromethyl)phenothiazin-3-ylidene]amino]phenyl]methanamine (CID 10150554) is [4-[[7-(trifluoromethyl)phenothiazin-3-ylidene]amino]phenyl]methanamine.
What is the SMILES notation for [4-[[7-(trifluoromethyl)phenothiazin-3-ylidene]amino]phenyl]methanamine?
The canonical SMILES for [4-[[7-(trifluoromethyl)phenothiazin-3-ylidene]amino]phenyl]methanamine is NCc1ccc(/N=c2\ccc3nc4ccc(C(F)(F)F)cc4sc-3c2)cc1.
What is the InChIKey of [4-[[7-(trifluoromethyl)phenothiazin-3-ylidene]amino]phenyl]methanamine?
The InChIKey is ZMFSFQICJUKPMZ-MFKUBSTISA-N. The full InChI is InChI=1S/C20H14F3N3S/c21-20(22,23)13-3-7-16-18(9-13)27-19-10-15(6-8-17(19)26-16)25-14-4-1-12(11-24)2-5-14/h1-10H,11,24H2/b25-15+.
What are the key properties of [4-[[7-(trifluoromethyl)phenothiazin-3-ylidene]amino]phenyl]methanamine?
[4-[[7-(trifluoromethyl)phenothiazin-3-ylidene]amino]phenyl]methanamine has a molecular weight of 385.41 g/mol, XLogP of 5.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[7-(trifluoromethyl)phenothiazin-3-ylidene]amino]phenyl]methanamine is sourced from PubChem (CID 10150554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).