N-[1-(5-fluoro-2-methylphenyl)ethenyl]-4-phenyl-6-[2-(trifluoromethyl)phenyl]pyridin-2-amine;pentane

C32H32F4N2 — CID 142126002

IUPACN-[1-(5-fluoro-2-methylphenyl)ethenyl]-4-phenyl-6-[2-(trifluoromethyl)phenyl]pyridin-2-amine;pentane
SMILESC=C(Nc1cc(-c2ccccc2)cc(-c2ccccc2C(F)(F)F)n1)c1cc(F)ccc1C.CCCCC
InChIInChI=1S/C27H20F4N2.C5H12/c1-17-12-13-21(28)16-23(17)18(2)32-26-15-20(19-8-4-3-5-9-19)14-25(33-26)22-10-6-7-11-24(22)27(29,30)31;1-3-5-4-2/h3-16H,2H2,1H3,(H,32,33);3-5H2,1-2H3
InChIKeyJQCZWTPTAQDGBE-UHFFFAOYSA-N
MW520.61 g/mol
LogP10.16
Rot. Bonds7

About N-[1-(5-fluoro-2-methylphenyl)ethenyl]-4-phenyl-6-[2-(trifluoromethyl)phenyl]pyridin-2-amine;pentane

N-[1-(5-fluoro-2-methylphenyl)ethenyl]-4-phenyl-6-[2-(trifluoromethyl)phenyl]pyridin-2-amine;pentane (PubChem CID 142126002) has the molecular formula C32H32F4N2 and a molecular weight of 520.61 g/mol. Its IUPAC name is N-[1-(5-fluoro-2-methylphenyl)ethenyl]-4-phenyl-6-[2-(trifluoromethyl)phenyl]pyridin-2-amine;pentane.

Molecular Properties

Compound NameN-[1-(5-fluoro-2-methylphenyl)ethenyl]-4-phenyl-6-[2-(trifluoromethyl)phenyl]pyridin-2-amine;pentane
PubChem CID142126002
Molecular FormulaC32H32F4N2
Molecular Weight520.61 g/mol
Exact Mass520.25
IUPAC NameN-[1-(5-fluoro-2-methylphenyl)ethenyl]-4-phenyl-6-[2-(trifluoromethyl)phenyl]pyridin-2-amine;pentane
SMILESC=C(Nc1cc(-c2ccccc2)cc(-c2ccccc2C(F)(F)F)n1)c1cc(F)ccc1C.CCCCC
InChIInChI=1S/C27H20F4N2.C5H12/c1-17-12-13-21(28)16-23(17)18(2)32-26-15-20(19-8-4-3-5-9-19)14-25(33-26)22-10-6-7-11-24(22)27(29,30)31;1-3-5-4-2/h3-16H,2H2,1H3,(H,32,33);3-5H2,1-2H3
InChIKeyJQCZWTPTAQDGBE-UHFFFAOYSA-N
XLogP10.16
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.61
LogP ≤ 510.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-Methylphenyl)-6-phenylpyridin-2-amine
CID 2113077
6-(2-{5-Fluoro-3'-[(methylamino)methyl][1,1'-biphenyl]-3-yl}ethyl)-4-methylpyridin-2-amine
CID 134686798
6-methyl-N-(naphthalen-1-ylmethyl)pyridin-2-amine
CID 975769
6-(((2-(trifluoromethyl)benzyl)(cyclohexylmethyl)amino)methyl)-N-(2,3-dimethylphenyl)pyridin-2-amine
CID 21866580
2-Benzyl-1-(6-benzyl-2-pyridinyl)guanidine
CID 44533049
N-(2,4-difluorophenyl)quinolin-2-amine
CID 2320270
N-(4-fluorophenyl)-6-(2-methylphenyl)pyrimidin-4-amine
CID 3234719
4-N-(2,2-diphenylethyl)-6-methyl-2-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine
CID 44532331
N-(3-fluorophenyl)-6-methyl-2-phenylpyrimidin-4-amine
CID 47079764
N,3-dibenzyl-6,7,8,9-tetrahydro-5H-pyrido[3,4-d]azepin-1-amine
CID 118736629
6-[2-[3-Fluoro-5-[4-(methylaminomethyl)phenyl]phenyl]ethyl]-4-methylpyridin-2-amine
CID 137637529
N-(4,6-diphenyl-2-pyridinyl)acetamide
CID 137660466

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-fluoro-2-methylphenyl)ethenyl]-4-phenyl-6-[2-(trifluoromethyl)phenyl]pyridin-2-amine;pentane?
The IUPAC name of N-[1-(5-fluoro-2-methylphenyl)ethenyl]-4-phenyl-6-[2-(trifluoromethyl)phenyl]pyridin-2-amine;pentane (CID 142126002) is N-[1-(5-fluoro-2-methylphenyl)ethenyl]-4-phenyl-6-[2-(trifluoromethyl)phenyl]pyridin-2-amine;pentane.
What is the SMILES notation for N-[1-(5-fluoro-2-methylphenyl)ethenyl]-4-phenyl-6-[2-(trifluoromethyl)phenyl]pyridin-2-amine;pentane?
The canonical SMILES for N-[1-(5-fluoro-2-methylphenyl)ethenyl]-4-phenyl-6-[2-(trifluoromethyl)phenyl]pyridin-2-amine;pentane is C=C(Nc1cc(-c2ccccc2)cc(-c2ccccc2C(F)(F)F)n1)c1cc(F)ccc1C.CCCCC.
What is the InChIKey of N-[1-(5-fluoro-2-methylphenyl)ethenyl]-4-phenyl-6-[2-(trifluoromethyl)phenyl]pyridin-2-amine;pentane?
The InChIKey is JQCZWTPTAQDGBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20F4N2.C5H12/c1-17-12-13-21(28)16-23(17)18(2)32-26-15-20(19-8-4-3-5-9-19)14-25(33-26)22-10-6-7-11-24(22)27(29,30)31;1-3-5-4-2/h3-16H,2H2,1H3,(H,32,33);3-5H2,1-2H3.
What are the key properties of N-[1-(5-fluoro-2-methylphenyl)ethenyl]-4-phenyl-6-[2-(trifluoromethyl)phenyl]pyridin-2-amine;pentane?
N-[1-(5-fluoro-2-methylphenyl)ethenyl]-4-phenyl-6-[2-(trifluoromethyl)phenyl]pyridin-2-amine;pentane has a molecular weight of 520.61 g/mol, XLogP of 10.16, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-fluoro-2-methylphenyl)ethenyl]-4-phenyl-6-[2-(trifluoromethyl)phenyl]pyridin-2-amine;pentane is sourced from PubChem (CID 142126002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).