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

C32H33F3N2 — CID 142127819

IUPACN-[1-(2-methylphenyl)ethenyl]-4-phenyl-6-[2-(trifluoromethyl)phenyl]pyridin-2-amine;pentane
SMILESC=C(Nc1cc(-c2ccccc2)cc(-c2ccccc2C(F)(F)F)n1)c1ccccc1C.CCCCC
InChIInChI=1S/C27H21F3N2.C5H12/c1-18-10-6-7-13-22(18)19(2)31-26-17-21(20-11-4-3-5-12-20)16-25(32-26)23-14-8-9-15-24(23)27(28,29)30;1-3-5-4-2/h3-17H,2H2,1H3,(H,31,32);3-5H2,1-2H3
InChIKeyQKCBMXCCWOQRTA-UHFFFAOYSA-N
MW502.62 g/mol
LogP10.02
Rot. Bonds7

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

N-[1-(2-methylphenyl)ethenyl]-4-phenyl-6-[2-(trifluoromethyl)phenyl]pyridin-2-amine;pentane (PubChem CID 142127819) has the molecular formula C32H33F3N2 and a molecular weight of 502.62 g/mol. Its IUPAC name is N-[1-(2-methylphenyl)ethenyl]-4-phenyl-6-[2-(trifluoromethyl)phenyl]pyridin-2-amine;pentane.

Molecular Properties

Compound NameN-[1-(2-methylphenyl)ethenyl]-4-phenyl-6-[2-(trifluoromethyl)phenyl]pyridin-2-amine;pentane
PubChem CID142127819
Molecular FormulaC32H33F3N2
Molecular Weight502.62 g/mol
Exact Mass502.26
IUPAC NameN-[1-(2-methylphenyl)ethenyl]-4-phenyl-6-[2-(trifluoromethyl)phenyl]pyridin-2-amine;pentane
SMILESC=C(Nc1cc(-c2ccccc2)cc(-c2ccccc2C(F)(F)F)n1)c1ccccc1C.CCCCC
InChIInChI=1S/C27H21F3N2.C5H12/c1-18-10-6-7-13-22(18)19(2)31-26-17-21(20-11-4-3-5-12-20)16-25(32-26)23-14-8-9-15-24(23)27(28,29)30;1-3-5-4-2/h3-17H,2H2,1H3,(H,31,32);3-5H2,1-2H3
InChIKeyQKCBMXCCWOQRTA-UHFFFAOYSA-N
XLogP10.02
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.62
LogP ≤ 510.02
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
4-(4-Methyl-7-o-tolyl-quinolin-2-ylamino)-benzamidine
CID 21250249
6-(((2-(trifluoromethyl)benzyl)(cyclohexylmethyl)amino)methyl)-N-(2,3-dimethylphenyl)pyridin-2-amine
CID 21866580
7-Methyl-3-(3-methylphenyl)isoquinolin-1-amine
CID 24956687
7-Methyl-3-(2-methylphenyl)isoquinolin-1-amine
CID 24956688
6-Methyl-3-(3-methylphenyl)isoquinolin-1-amine
CID 24957048
3-(2,6-Dimethylphenyl)-6-methylisoquinolin-1-amine
CID 24957049
2-Benzyl-1-(6-benzyl-2-pyridinyl)guanidine
CID 44533049
1-(3-Cyano-4,6-diphenyl-2-pyridinyl)-3-phenylthiourea
CID 118730799
2-(Methylamino)-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 1477168

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methylphenyl)ethenyl]-4-phenyl-6-[2-(trifluoromethyl)phenyl]pyridin-2-amine;pentane?
The IUPAC name of N-[1-(2-methylphenyl)ethenyl]-4-phenyl-6-[2-(trifluoromethyl)phenyl]pyridin-2-amine;pentane (CID 142127819) is N-[1-(2-methylphenyl)ethenyl]-4-phenyl-6-[2-(trifluoromethyl)phenyl]pyridin-2-amine;pentane.
What is the SMILES notation for N-[1-(2-methylphenyl)ethenyl]-4-phenyl-6-[2-(trifluoromethyl)phenyl]pyridin-2-amine;pentane?
The canonical SMILES for N-[1-(2-methylphenyl)ethenyl]-4-phenyl-6-[2-(trifluoromethyl)phenyl]pyridin-2-amine;pentane is C=C(Nc1cc(-c2ccccc2)cc(-c2ccccc2C(F)(F)F)n1)c1ccccc1C.CCCCC.
What is the InChIKey of N-[1-(2-methylphenyl)ethenyl]-4-phenyl-6-[2-(trifluoromethyl)phenyl]pyridin-2-amine;pentane?
The InChIKey is QKCBMXCCWOQRTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21F3N2.C5H12/c1-18-10-6-7-13-22(18)19(2)31-26-17-21(20-11-4-3-5-12-20)16-25(32-26)23-14-8-9-15-24(23)27(28,29)30;1-3-5-4-2/h3-17H,2H2,1H3,(H,31,32);3-5H2,1-2H3.
What are the key properties of N-[1-(2-methylphenyl)ethenyl]-4-phenyl-6-[2-(trifluoromethyl)phenyl]pyridin-2-amine;pentane?
N-[1-(2-methylphenyl)ethenyl]-4-phenyl-6-[2-(trifluoromethyl)phenyl]pyridin-2-amine;pentane has a molecular weight of 502.62 g/mol, XLogP of 10.02, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methylphenyl)ethenyl]-4-phenyl-6-[2-(trifluoromethyl)phenyl]pyridin-2-amine;pentane is sourced from PubChem (CID 142127819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).