N-pyrrolidin-3-yl-3-(trifluoromethyl)-10H-phenothiazin-1-amine

C17H16F3N3S — CID 139346514

IUPACN-pyrrolidin-3-yl-3-(trifluoromethyl)-10H-phenothiazin-1-amine
SMILESFC(F)(F)c1cc(NC2CCNC2)c2c(c1)Sc1ccccc1N2
InChIInChI=1S/C17H16F3N3S/c18-17(19,20)10-7-13(22-11-5-6-21-9-11)16-15(8-10)24-14-4-2-1-3-12(14)23-16/h1-4,7-8,11,21-23H,5-6,9H2
InChIKeyBCIUENOKYGWPCA-UHFFFAOYSA-N
MW351.40 g/mol
LogP4.69
Rot. Bonds2

About N-pyrrolidin-3-yl-3-(trifluoromethyl)-10H-phenothiazin-1-amine

N-pyrrolidin-3-yl-3-(trifluoromethyl)-10H-phenothiazin-1-amine (PubChem CID 139346514) has the molecular formula C17H16F3N3S and a molecular weight of 351.40 g/mol. Its IUPAC name is N-pyrrolidin-3-yl-3-(trifluoromethyl)-10H-phenothiazin-1-amine.

Molecular Properties

Compound NameN-pyrrolidin-3-yl-3-(trifluoromethyl)-10H-phenothiazin-1-amine
PubChem CID139346514
Molecular FormulaC17H16F3N3S
Molecular Weight351.40 g/mol
Exact Mass351.10
IUPAC NameN-pyrrolidin-3-yl-3-(trifluoromethyl)-10H-phenothiazin-1-amine
SMILESFC(F)(F)c1cc(NC2CCNC2)c2c(c1)Sc1ccccc1N2
InChIInChI=1S/C17H16F3N3S/c18-17(19,20)10-7-13(22-11-5-6-21-9-11)16-15(8-10)24-14-4-2-1-3-12(14)23-16/h1-4,7-8,11,21-23H,5-6,9H2
InChIKeyBCIUENOKYGWPCA-UHFFFAOYSA-N
XLogP4.69
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 54.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-pyrrolidin-3-yl-3-(trifluoromethyl)-10H-phenothiazin-1-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-[2-fluoro-5-(trifluoromethyl)phenyl]pyrrolidin-3-amine
CID 79741047
N-[2-bromo-5-(trifluoromethyl)phenyl]pyrrolidin-3-amine
CID 114042706
N-[4-(2-aminoethyl)cyclohexyl]-8-bromo-3-(trifluoromethyl)-10H-phenothiazin-1-amine
CID 163641073
1-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-3-(trifluoromethyl)-10H-phenothiazine
CID 166761808
2-[3-(aminomethyl)cyclohexyl]-N-[3-(trifluoromethyl)-10H-phenothiazin-1-yl]acetamide
CID 139362606
1-N-[1-(2-aminoethyl)piperidin-4-yl]-7-N,7-N-diethyl-3-(trifluoromethyl)-10H-phenothiazine-1,7-diamine;hydrochloride
CID 139346606
1-N-[1-(2-aminoethyl)piperidin-4-yl]-7-N-ethyl-7-N-methyl-3-(trifluoromethyl)-10H-phenothiazine-1,7-diamine
CID 139346547
N-[1-(2-aminoethyl)piperidin-4-yl]-1-(trifluoromethyl)-10H-phenothiazin-3-amine
CID 139346442
N-(2-chlorophenyl)pyrrolidin-3-amine
CID 66545622
N-[1-(2-aminoethyl)piperidin-4-yl]-7-(3,5-dimethylpiperidin-1-yl)-3-(trifluoromethyl)-10H-phenothiazin-1-amine;hydrochloride
CID 139346560
1-[[1-(2-aminoethyl)piperidin-4-yl]amino]-10H-phenothiazine-3-carboxamide
CID 139346605
N-[1-(2-aminoethyl)piperidin-4-yl]-7-(2,6-dimethylmorpholin-4-yl)-3-(trifluoromethyl)-10H-phenothiazin-1-amine;hydrochloride
CID 139346721

Frequently Asked Questions

What is the IUPAC name of N-pyrrolidin-3-yl-3-(trifluoromethyl)-10H-phenothiazin-1-amine?
The IUPAC name of N-pyrrolidin-3-yl-3-(trifluoromethyl)-10H-phenothiazin-1-amine (CID 139346514) is N-pyrrolidin-3-yl-3-(trifluoromethyl)-10H-phenothiazin-1-amine.
What is the SMILES notation for N-pyrrolidin-3-yl-3-(trifluoromethyl)-10H-phenothiazin-1-amine?
The canonical SMILES for N-pyrrolidin-3-yl-3-(trifluoromethyl)-10H-phenothiazin-1-amine is FC(F)(F)c1cc(NC2CCNC2)c2c(c1)Sc1ccccc1N2.
What is the InChIKey of N-pyrrolidin-3-yl-3-(trifluoromethyl)-10H-phenothiazin-1-amine?
The InChIKey is BCIUENOKYGWPCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N3S/c18-17(19,20)10-7-13(22-11-5-6-21-9-11)16-15(8-10)24-14-4-2-1-3-12(14)23-16/h1-4,7-8,11,21-23H,5-6,9H2.
What are the key properties of N-pyrrolidin-3-yl-3-(trifluoromethyl)-10H-phenothiazin-1-amine?
N-pyrrolidin-3-yl-3-(trifluoromethyl)-10H-phenothiazin-1-amine has a molecular weight of 351.40 g/mol, XLogP of 4.69, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyrrolidin-3-yl-3-(trifluoromethyl)-10H-phenothiazin-1-amine is sourced from PubChem (CID 139346514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).