2-N-methyl-1-phenyl-1-N-[1-(3H-pyrrol-2-yl)-3-[4-(trifluoromethyl)phenyl]propyl]prop-2-ene-1,2-diamine

C24H26F3N3 — CID 89284743

IUPAC2-N-methyl-1-phenyl-1-N-[1-(3H-pyrrol-2-yl)-3-[4-(trifluoromethyl)phenyl]propyl]prop-2-ene-1,2-diamine
SMILESC=C(NC)C(NC(CCc1ccc(C(F)(F)F)cc1)C1=NC=CC1)c1ccccc1
InChIInChI=1S/C24H26F3N3/c1-17(28-2)23(19-7-4-3-5-8-19)30-22(21-9-6-16-29-21)15-12-18-10-13-20(14-11-18)24(25,26)27/h3-8,10-11,13-14,16,22-23,28,30H,1,9,12,15H2,2H3
InChIKeyJFTLFFZEYUMXIU-UHFFFAOYSA-N
MW413.49 g/mol
LogP5.43
Rot. Bonds9

About 2-N-methyl-1-phenyl-1-N-[1-(3H-pyrrol-2-yl)-3-[4-(trifluoromethyl)phenyl]propyl]prop-2-ene-1,2-diamine

2-N-methyl-1-phenyl-1-N-[1-(3H-pyrrol-2-yl)-3-[4-(trifluoromethyl)phenyl]propyl]prop-2-ene-1,2-diamine (PubChem CID 89284743) has the molecular formula C24H26F3N3 and a molecular weight of 413.49 g/mol. Its IUPAC name is 2-N-methyl-1-phenyl-1-N-[1-(3H-pyrrol-2-yl)-3-[4-(trifluoromethyl)phenyl]propyl]prop-2-ene-1,2-diamine.

Molecular Properties

Compound Name2-N-methyl-1-phenyl-1-N-[1-(3H-pyrrol-2-yl)-3-[4-(trifluoromethyl)phenyl]propyl]prop-2-ene-1,2-diamine
PubChem CID89284743
Molecular FormulaC24H26F3N3
Molecular Weight413.49 g/mol
Exact Mass413.21
IUPAC Name2-N-methyl-1-phenyl-1-N-[1-(3H-pyrrol-2-yl)-3-[4-(trifluoromethyl)phenyl]propyl]prop-2-ene-1,2-diamine
SMILESC=C(NC)C(NC(CCc1ccc(C(F)(F)F)cc1)C1=NC=CC1)c1ccccc1
InChIInChI=1S/C24H26F3N3/c1-17(28-2)23(19-7-4-3-5-8-19)30-22(21-9-6-16-29-21)15-12-18-10-13-20(14-11-18)24(25,26)27/h3-8,10-11,13-14,16,22-23,28,30H,1,9,12,15H2,2H3
InChIKeyJFTLFFZEYUMXIU-UHFFFAOYSA-N
XLogP5.43
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.49
LogP ≤ 55.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-N-methyl-1-phenyl-1-N-[1-(3H-pyrrol-2-yl)-3-[4-(trifluoromethyl)phenyl]propyl]prop-2-ene-1,2-diamine 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 2-N-methyl-1-phenyl-1-N-[1-(3H-pyrrol-2-yl)-3-[4-(trifluoromethyl)phenyl]propyl]prop-2-ene-1,2-diamine?
The IUPAC name of 2-N-methyl-1-phenyl-1-N-[1-(3H-pyrrol-2-yl)-3-[4-(trifluoromethyl)phenyl]propyl]prop-2-ene-1,2-diamine (CID 89284743) is 2-N-methyl-1-phenyl-1-N-[1-(3H-pyrrol-2-yl)-3-[4-(trifluoromethyl)phenyl]propyl]prop-2-ene-1,2-diamine.
What is the SMILES notation for 2-N-methyl-1-phenyl-1-N-[1-(3H-pyrrol-2-yl)-3-[4-(trifluoromethyl)phenyl]propyl]prop-2-ene-1,2-diamine?
The canonical SMILES for 2-N-methyl-1-phenyl-1-N-[1-(3H-pyrrol-2-yl)-3-[4-(trifluoromethyl)phenyl]propyl]prop-2-ene-1,2-diamine is C=C(NC)C(NC(CCc1ccc(C(F)(F)F)cc1)C1=NC=CC1)c1ccccc1.
What is the InChIKey of 2-N-methyl-1-phenyl-1-N-[1-(3H-pyrrol-2-yl)-3-[4-(trifluoromethyl)phenyl]propyl]prop-2-ene-1,2-diamine?
The InChIKey is JFTLFFZEYUMXIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F3N3/c1-17(28-2)23(19-7-4-3-5-8-19)30-22(21-9-6-16-29-21)15-12-18-10-13-20(14-11-18)24(25,26)27/h3-8,10-11,13-14,16,22-23,28,30H,1,9,12,15H2,2H3.
What are the key properties of 2-N-methyl-1-phenyl-1-N-[1-(3H-pyrrol-2-yl)-3-[4-(trifluoromethyl)phenyl]propyl]prop-2-ene-1,2-diamine?
2-N-methyl-1-phenyl-1-N-[1-(3H-pyrrol-2-yl)-3-[4-(trifluoromethyl)phenyl]propyl]prop-2-ene-1,2-diamine has a molecular weight of 413.49 g/mol, XLogP of 5.43, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-1-phenyl-1-N-[1-(3H-pyrrol-2-yl)-3-[4-(trifluoromethyl)phenyl]propyl]prop-2-ene-1,2-diamine is sourced from PubChem (CID 89284743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).