N-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)-6-[2-(trifluoromethyl)phenyl]pyridin-2-amine

C21H16F6N2O — CID 86657408

IUPACN-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)-6-[2-(trifluoromethyl)phenyl]pyridin-2-amine
SMILESCOc1ccc(CNc2cc(C(F)(F)F)cc(-c3ccccc3C(F)(F)F)n2)cc1
InChIInChI=1S/C21H16F6N2O/c1-30-15-8-6-13(7-9-15)12-28-19-11-14(20(22,23)24)10-18(29-19)16-4-2-3-5-17(16)21(25,26)27/h2-11H,12H2,1H3,(H,28,29)
InChIKeyHZMWGEXCLCRUPB-UHFFFAOYSA-N
MW426.36 g/mol
LogP6.41
Rot. Bonds5

About N-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)-6-[2-(trifluoromethyl)phenyl]pyridin-2-amine

N-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)-6-[2-(trifluoromethyl)phenyl]pyridin-2-amine (PubChem CID 86657408) has the molecular formula C21H16F6N2O and a molecular weight of 426.36 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)-6-[2-(trifluoromethyl)phenyl]pyridin-2-amine.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)-6-[2-(trifluoromethyl)phenyl]pyridin-2-amine
PubChem CID86657408
Molecular FormulaC21H16F6N2O
Molecular Weight426.36 g/mol
Exact Mass426.12
IUPAC NameN-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)-6-[2-(trifluoromethyl)phenyl]pyridin-2-amine
SMILESCOc1ccc(CNc2cc(C(F)(F)F)cc(-c3ccccc3C(F)(F)F)n2)cc1
InChIInChI=1S/C21H16F6N2O/c1-30-15-8-6-13(7-9-15)12-28-19-11-14(20(22,23)24)10-18(29-19)16-4-2-3-5-17(16)21(25,26)27/h2-11H,12H2,1H3,(H,28,29)
InChIKeyHZMWGEXCLCRUPB-UHFFFAOYSA-N
XLogP6.41
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.36
LogP ≤ 56.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-[(4-methoxyphenyl)methylamino]-4-(trifluoromethyl)pyridine-2-carbonitrile
CID 174777830
4-methoxy-2,6-bis[2-(trifluoromethyl)phenyl]pyridine
CID 134618215
N-ethyl-6-(2-methylphenyl)-4-(trifluoromethyl)pyridin-2-amine
CID 102716549
4-N-[(4-methoxyphenyl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106770439
6-chloro-N-[(4-methoxyphenyl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine
CID 106767088
N-[(4-methoxyphenyl)methyl]-1-methyl-6-[2-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide
CID 134802696
6-chloro-N-[(4-ethylphenyl)methyl]-4-(trifluoromethyl)pyridin-2-amine
CID 106900562
N-benzyl-6-hydrazinyl-4-(trifluoromethyl)pyridin-2-amine
CID 102720987
2-(4-methoxyphenyl)-4-[2-(trifluoromethyl)phenyl]-1,3-thiazole
CID 162536924
6-N-[(4-chlorophenyl)methyl]-2-N-methyl-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717237
N-[(4-methoxyphenyl)methyl]-6-methyl-3-(trifluoromethyl)pyridin-2-amine
CID 90017318
6-N-[(4-methylphenyl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717360

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)-6-[2-(trifluoromethyl)phenyl]pyridin-2-amine?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)-6-[2-(trifluoromethyl)phenyl]pyridin-2-amine (CID 86657408) is N-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)-6-[2-(trifluoromethyl)phenyl]pyridin-2-amine.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)-6-[2-(trifluoromethyl)phenyl]pyridin-2-amine?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)-6-[2-(trifluoromethyl)phenyl]pyridin-2-amine is COc1ccc(CNc2cc(C(F)(F)F)cc(-c3ccccc3C(F)(F)F)n2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)-6-[2-(trifluoromethyl)phenyl]pyridin-2-amine?
The InChIKey is HZMWGEXCLCRUPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F6N2O/c1-30-15-8-6-13(7-9-15)12-28-19-11-14(20(22,23)24)10-18(29-19)16-4-2-3-5-17(16)21(25,26)27/h2-11H,12H2,1H3,(H,28,29).
What are the key properties of N-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)-6-[2-(trifluoromethyl)phenyl]pyridin-2-amine?
N-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)-6-[2-(trifluoromethyl)phenyl]pyridin-2-amine has a molecular weight of 426.36 g/mol, XLogP of 6.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)-6-[2-(trifluoromethyl)phenyl]pyridin-2-amine is sourced from PubChem (CID 86657408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).