4-(1-cyclopropyl-2-phenyl-1-pyridin-2-ylethyl)-N,N-dimethyl-2-(trifluoromethyl)aniline

C25H25F3N2 — CID 143473951

IUPAC4-(1-cyclopropyl-2-phenyl-1-pyridin-2-ylethyl)-N,N-dimethyl-2-(trifluoromethyl)aniline
SMILESCN(C)c1ccc(C(Cc2ccccc2)(c2ccccn2)C2CC2)cc1C(F)(F)F
InChIInChI=1S/C25H25F3N2/c1-30(2)22-14-13-20(16-21(22)25(26,27)28)24(19-11-12-19,23-10-6-7-15-29-23)17-18-8-4-3-5-9-18/h3-10,13-16,19H,11-12,17H2,1-2H3
InChIKeyXAFXICFKWRECNY-UHFFFAOYSA-N
MW410.48 g/mol
LogP6.11
Rot. Bonds6

About 4-(1-cyclopropyl-2-phenyl-1-pyridin-2-ylethyl)-N,N-dimethyl-2-(trifluoromethyl)aniline

4-(1-cyclopropyl-2-phenyl-1-pyridin-2-ylethyl)-N,N-dimethyl-2-(trifluoromethyl)aniline (PubChem CID 143473951) has the molecular formula C25H25F3N2 and a molecular weight of 410.48 g/mol. Its IUPAC name is 4-(1-cyclopropyl-2-phenyl-1-pyridin-2-ylethyl)-N,N-dimethyl-2-(trifluoromethyl)aniline.

Molecular Properties

Compound Name4-(1-cyclopropyl-2-phenyl-1-pyridin-2-ylethyl)-N,N-dimethyl-2-(trifluoromethyl)aniline
PubChem CID143473951
Molecular FormulaC25H25F3N2
Molecular Weight410.48 g/mol
Exact Mass410.20
IUPAC Name4-(1-cyclopropyl-2-phenyl-1-pyridin-2-ylethyl)-N,N-dimethyl-2-(trifluoromethyl)aniline
SMILESCN(C)c1ccc(C(Cc2ccccc2)(c2ccccn2)C2CC2)cc1C(F)(F)F
InChIInChI=1S/C25H25F3N2/c1-30(2)22-14-13-20(16-21(22)25(26,27)28)24(19-11-12-19,23-10-6-7-15-29-23)17-18-8-4-3-5-9-18/h3-10,13-16,19H,11-12,17H2,1-2H3
InChIKeyXAFXICFKWRECNY-UHFFFAOYSA-N
XLogP6.11
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.48
LogP ≤ 56.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(1-cyclopropyl-2-phenyl-1-pyridin-2-ylethyl)-N,N-dimethyl-2-(trifluoromethyl)aniline?
The IUPAC name of 4-(1-cyclopropyl-2-phenyl-1-pyridin-2-ylethyl)-N,N-dimethyl-2-(trifluoromethyl)aniline (CID 143473951) is 4-(1-cyclopropyl-2-phenyl-1-pyridin-2-ylethyl)-N,N-dimethyl-2-(trifluoromethyl)aniline.
What is the SMILES notation for 4-(1-cyclopropyl-2-phenyl-1-pyridin-2-ylethyl)-N,N-dimethyl-2-(trifluoromethyl)aniline?
The canonical SMILES for 4-(1-cyclopropyl-2-phenyl-1-pyridin-2-ylethyl)-N,N-dimethyl-2-(trifluoromethyl)aniline is CN(C)c1ccc(C(Cc2ccccc2)(c2ccccn2)C2CC2)cc1C(F)(F)F.
What is the InChIKey of 4-(1-cyclopropyl-2-phenyl-1-pyridin-2-ylethyl)-N,N-dimethyl-2-(trifluoromethyl)aniline?
The InChIKey is XAFXICFKWRECNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F3N2/c1-30(2)22-14-13-20(16-21(22)25(26,27)28)24(19-11-12-19,23-10-6-7-15-29-23)17-18-8-4-3-5-9-18/h3-10,13-16,19H,11-12,17H2,1-2H3.
What are the key properties of 4-(1-cyclopropyl-2-phenyl-1-pyridin-2-ylethyl)-N,N-dimethyl-2-(trifluoromethyl)aniline?
4-(1-cyclopropyl-2-phenyl-1-pyridin-2-ylethyl)-N,N-dimethyl-2-(trifluoromethyl)aniline has a molecular weight of 410.48 g/mol, XLogP of 6.11, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-cyclopropyl-2-phenyl-1-pyridin-2-ylethyl)-N,N-dimethyl-2-(trifluoromethyl)aniline is sourced from PubChem (CID 143473951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).