N-(4-methoxyphenyl)-4-phenyl-1-(2,2,2-trifluoroethyl)pyrrol-3-amine

C19H17F3N2O — CID 141105654

IUPACN-(4-methoxyphenyl)-4-phenyl-1-(2,2,2-trifluoroethyl)pyrrol-3-amine
SMILESCOc1ccc(Nc2cn(CC(F)(F)F)cc2-c2ccccc2)cc1
InChIInChI=1S/C19H17F3N2O/c1-25-16-9-7-15(8-10-16)23-18-12-24(13-19(20,21)22)11-17(18)14-5-3-2-4-6-14/h2-12,23H,13H2,1H3
InChIKeyYAPKHHOFNOTNIO-UHFFFAOYSA-N
MW346.35 g/mol
LogP5.47
Rot. Bonds5

About N-(4-methoxyphenyl)-4-phenyl-1-(2,2,2-trifluoroethyl)pyrrol-3-amine

N-(4-methoxyphenyl)-4-phenyl-1-(2,2,2-trifluoroethyl)pyrrol-3-amine (PubChem CID 141105654) has the molecular formula C19H17F3N2O and a molecular weight of 346.35 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-4-phenyl-1-(2,2,2-trifluoroethyl)pyrrol-3-amine.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-4-phenyl-1-(2,2,2-trifluoroethyl)pyrrol-3-amine
PubChem CID141105654
Molecular FormulaC19H17F3N2O
Molecular Weight346.35 g/mol
Exact Mass346.13
IUPAC NameN-(4-methoxyphenyl)-4-phenyl-1-(2,2,2-trifluoroethyl)pyrrol-3-amine
SMILESCOc1ccc(Nc2cn(CC(F)(F)F)cc2-c2ccccc2)cc1
InChIInChI=1S/C19H17F3N2O/c1-25-16-9-7-15(8-10-16)23-18-12-24(13-19(20,21)22)11-17(18)14-5-3-2-4-6-14/h2-12,23H,13H2,1H3
InChIKeyYAPKHHOFNOTNIO-UHFFFAOYSA-N
XLogP5.47
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.35
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-4-phenyl-1-(2,2,2-trifluoroethyl)pyrrol-3-amine?
The IUPAC name of N-(4-methoxyphenyl)-4-phenyl-1-(2,2,2-trifluoroethyl)pyrrol-3-amine (CID 141105654) is N-(4-methoxyphenyl)-4-phenyl-1-(2,2,2-trifluoroethyl)pyrrol-3-amine.
What is the SMILES notation for N-(4-methoxyphenyl)-4-phenyl-1-(2,2,2-trifluoroethyl)pyrrol-3-amine?
The canonical SMILES for N-(4-methoxyphenyl)-4-phenyl-1-(2,2,2-trifluoroethyl)pyrrol-3-amine is COc1ccc(Nc2cn(CC(F)(F)F)cc2-c2ccccc2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-4-phenyl-1-(2,2,2-trifluoroethyl)pyrrol-3-amine?
The InChIKey is YAPKHHOFNOTNIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N2O/c1-25-16-9-7-15(8-10-16)23-18-12-24(13-19(20,21)22)11-17(18)14-5-3-2-4-6-14/h2-12,23H,13H2,1H3.
What are the key properties of N-(4-methoxyphenyl)-4-phenyl-1-(2,2,2-trifluoroethyl)pyrrol-3-amine?
N-(4-methoxyphenyl)-4-phenyl-1-(2,2,2-trifluoroethyl)pyrrol-3-amine has a molecular weight of 346.35 g/mol, XLogP of 5.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-4-phenyl-1-(2,2,2-trifluoroethyl)pyrrol-3-amine is sourced from PubChem (CID 141105654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).