ethene;2-propyl-4-pyridin-3-yl-6-(trifluoromethyl)aniline

C17H19F3N2 — CID 143888698

IUPACethene;2-propyl-4-pyridin-3-yl-6-(trifluoromethyl)aniline
SMILESC=C.CCCc1cc(-c2cccnc2)cc(C(F)(F)F)c1N
InChIInChI=1S/C15H15F3N2.C2H4/c1-2-4-10-7-12(11-5-3-6-20-9-11)8-13(14(10)19)15(16,17)18;1-2/h3,5-9H,2,4,19H2,1H3;1-2H2
InChIKeyCFETVILCZDCVKS-UHFFFAOYSA-N
MW308.35 g/mol
LogP5.10
Rot. Bonds3

About ethene;2-propyl-4-pyridin-3-yl-6-(trifluoromethyl)aniline

ethene;2-propyl-4-pyridin-3-yl-6-(trifluoromethyl)aniline (PubChem CID 143888698) has the molecular formula C17H19F3N2 and a molecular weight of 308.35 g/mol. Its IUPAC name is ethene;2-propyl-4-pyridin-3-yl-6-(trifluoromethyl)aniline.

Molecular Properties

Compound Nameethene;2-propyl-4-pyridin-3-yl-6-(trifluoromethyl)aniline
PubChem CID143888698
Molecular FormulaC17H19F3N2
Molecular Weight308.35 g/mol
Exact Mass308.15
IUPAC Nameethene;2-propyl-4-pyridin-3-yl-6-(trifluoromethyl)aniline
SMILESC=C.CCCc1cc(-c2cccnc2)cc(C(F)(F)F)c1N
InChIInChI=1S/C15H15F3N2.C2H4/c1-2-4-10-7-12(11-5-3-6-20-9-11)8-13(14(10)19)15(16,17)18;1-2/h3,5-9H,2,4,19H2,1H3;1-2H2
InChIKeyCFETVILCZDCVKS-UHFFFAOYSA-N
XLogP5.10
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.35
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-[4-ethoxy-3-(trifluoromethyl)phenyl]pyridine
CID 174511445
3-[3-(chloromethyl)-4-(trifluoromethyl)phenyl]pyridine
CID 46316213
3-[3-ethyl-5-(trifluoromethyl)phenyl]pyridine
CID 134532799
3-[3-pyridin-3-yl-5-(trifluoromethyl)phenyl]pyridine
CID 46316443
3-[3,5-bis(trifluoromethyl)phenyl]pyridine
CID 46315288
ethyl 5-pyridin-3-yl-3-(trifluoromethyl)pyridine-2-carboxylate
CID 46317787
3-[4-methoxy-3-(trifluoromethyl)phenyl]pyridine
CID 46317327
3-(3-propylphenyl)pyridine
CID 69055272
3-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine;propane
CID 144612655
2-(bromomethyl)-5-pyridin-3-yl-3-(trifluoromethyl)pyridine
CID 131869904
[5-pyridin-3-yl-3-(trifluoromethyl)-2-pyridinyl]methanol
CID 131870150
7-propyl-4-(3-pyridin-3-ylphenyl)-8-(trifluoromethyl)-1,3-dihydro-1,5-benzodiazepin-2-one
CID 22317404

Frequently Asked Questions

What is the IUPAC name of ethene;2-propyl-4-pyridin-3-yl-6-(trifluoromethyl)aniline?
The IUPAC name of ethene;2-propyl-4-pyridin-3-yl-6-(trifluoromethyl)aniline (CID 143888698) is ethene;2-propyl-4-pyridin-3-yl-6-(trifluoromethyl)aniline.
What is the SMILES notation for ethene;2-propyl-4-pyridin-3-yl-6-(trifluoromethyl)aniline?
The canonical SMILES for ethene;2-propyl-4-pyridin-3-yl-6-(trifluoromethyl)aniline is C=C.CCCc1cc(-c2cccnc2)cc(C(F)(F)F)c1N.
What is the InChIKey of ethene;2-propyl-4-pyridin-3-yl-6-(trifluoromethyl)aniline?
The InChIKey is CFETVILCZDCVKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N2.C2H4/c1-2-4-10-7-12(11-5-3-6-20-9-11)8-13(14(10)19)15(16,17)18;1-2/h3,5-9H,2,4,19H2,1H3;1-2H2.
What are the key properties of ethene;2-propyl-4-pyridin-3-yl-6-(trifluoromethyl)aniline?
ethene;2-propyl-4-pyridin-3-yl-6-(trifluoromethyl)aniline has a molecular weight of 308.35 g/mol, XLogP of 5.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;2-propyl-4-pyridin-3-yl-6-(trifluoromethyl)aniline is sourced from PubChem (CID 143888698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).