N-ethyl-2,2-difluoro-N-[1-pyridin-3-yl-2-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]ethyl]propan-1-amine

C24H24F5N3 — CID 143520393

IUPACN-ethyl-2,2-difluoro-N-[1-pyridin-3-yl-2-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]ethyl]propan-1-amine
SMILESCCN(CC(C)(F)F)C(Cc1cccnc1-c1cccc(C(F)(F)F)c1)c1cccnc1
InChIInChI=1S/C24H24F5N3/c1-3-32(16-23(2,25)26)21(19-9-5-11-30-15-19)14-18-8-6-12-31-22(18)17-7-4-10-20(13-17)24(27,28)29/h4-13,15,21H,3,14,16H2,1-2H3
InChIKeyMFNNIRPNNNDWDV-UHFFFAOYSA-N
MW449.47 g/mol
LogP6.42
Rot. Bonds8

About N-ethyl-2,2-difluoro-N-[1-pyridin-3-yl-2-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]ethyl]propan-1-amine

N-ethyl-2,2-difluoro-N-[1-pyridin-3-yl-2-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]ethyl]propan-1-amine (PubChem CID 143520393) has the molecular formula C24H24F5N3 and a molecular weight of 449.47 g/mol. Its IUPAC name is N-ethyl-2,2-difluoro-N-[1-pyridin-3-yl-2-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-ethyl-2,2-difluoro-N-[1-pyridin-3-yl-2-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]ethyl]propan-1-amine
PubChem CID143520393
Molecular FormulaC24H24F5N3
Molecular Weight449.47 g/mol
Exact Mass449.19
IUPAC NameN-ethyl-2,2-difluoro-N-[1-pyridin-3-yl-2-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]ethyl]propan-1-amine
SMILESCCN(CC(C)(F)F)C(Cc1cccnc1-c1cccc(C(F)(F)F)c1)c1cccnc1
InChIInChI=1S/C24H24F5N3/c1-3-32(16-23(2,25)26)21(19-9-5-11-30-15-19)14-18-8-6-12-31-22(18)17-7-4-10-20(13-17)24(27,28)29/h4-13,15,21H,3,14,16H2,1-2H3
InChIKeyMFNNIRPNNNDWDV-UHFFFAOYSA-N
XLogP6.42
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.47
LogP ≤ 56.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(R)-pyridin-3-yl-[3-(trifluoromethyl)phenyl]methanamine
CID 28502674
2-[3-(trifluoromethyl)phenyl]pyridin-3-ol
CID 53218025
[5-[2-(fluoromethyl)phenyl]-3-[3-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]-pyridin-3-ylmethanol
CID 123606518
3-(2,2-dipyridin-3-ylethyl)-2-(4-methylphenyl)pyridine
CID 66829361
N-[(2-pyridin-3-yl-3-pyridinyl)methyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 91817167
4-[1-pyridin-3-yl-2-[2-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]ethyl]morpholine
CID 143520405
2-fluoro-3-[3-(trifluoromethyl)phenyl]pyridine
CID 133089697
2-(4-chlorophenyl)-3-(2,2-dipyridin-3-ylethyl)pyridine
CID 66829368
2-pyridin-3-yl-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 62791242
1-methyl-1-(1-pyridin-3-ylpropyl)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]urea
CID 119059626
[3-[3-(trifluoromethyl)phenyl]-2-pyridinyl]methanol
CID 134621668
N,N-diethyl-6-[3-(trifluoromethyl)phenyl]pyridazin-3-amine
CID 71528502

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,2-difluoro-N-[1-pyridin-3-yl-2-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]ethyl]propan-1-amine?
The IUPAC name of N-ethyl-2,2-difluoro-N-[1-pyridin-3-yl-2-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]ethyl]propan-1-amine (CID 143520393) is N-ethyl-2,2-difluoro-N-[1-pyridin-3-yl-2-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]ethyl]propan-1-amine.
What is the SMILES notation for N-ethyl-2,2-difluoro-N-[1-pyridin-3-yl-2-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]ethyl]propan-1-amine?
The canonical SMILES for N-ethyl-2,2-difluoro-N-[1-pyridin-3-yl-2-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]ethyl]propan-1-amine is CCN(CC(C)(F)F)C(Cc1cccnc1-c1cccc(C(F)(F)F)c1)c1cccnc1.
What is the InChIKey of N-ethyl-2,2-difluoro-N-[1-pyridin-3-yl-2-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]ethyl]propan-1-amine?
The InChIKey is MFNNIRPNNNDWDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F5N3/c1-3-32(16-23(2,25)26)21(19-9-5-11-30-15-19)14-18-8-6-12-31-22(18)17-7-4-10-20(13-17)24(27,28)29/h4-13,15,21H,3,14,16H2,1-2H3.
What are the key properties of N-ethyl-2,2-difluoro-N-[1-pyridin-3-yl-2-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]ethyl]propan-1-amine?
N-ethyl-2,2-difluoro-N-[1-pyridin-3-yl-2-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]ethyl]propan-1-amine has a molecular weight of 449.47 g/mol, XLogP of 6.42, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,2-difluoro-N-[1-pyridin-3-yl-2-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]ethyl]propan-1-amine is sourced from PubChem (CID 143520393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).