N-[[6-(2,6-diethylphenyl)-2-methyl-4-propan-2-yloxy-3-pyridinyl]methyl]-N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine

C29H35F3N2O — CID 66994430

IUPACN-[[6-(2,6-diethylphenyl)-2-methyl-4-propan-2-yloxy-3-pyridinyl]methyl]-N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine
SMILESCCc1cccc(CC)c1-c1cc(OC(C)C)c(CN(C)Cc2cccc(C(F)(F)F)c2)c(C)n1
InChIInChI=1S/C29H35F3N2O/c1-7-22-12-10-13-23(8-2)28(22)26-16-27(35-19(3)4)25(20(5)33-26)18-34(6)17-21-11-9-14-24(15-21)29(30,31)32/h9-16,19H,7-8,17-18H2,1-6H3
InChIKeyNMYSVHWYAPJGLK-UHFFFAOYSA-N
MW484.61 g/mol
LogP7.62
Rot. Bonds9

About N-[[6-(2,6-diethylphenyl)-2-methyl-4-propan-2-yloxy-3-pyridinyl]methyl]-N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine

N-[[6-(2,6-diethylphenyl)-2-methyl-4-propan-2-yloxy-3-pyridinyl]methyl]-N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine (PubChem CID 66994430) has the molecular formula C29H35F3N2O and a molecular weight of 484.61 g/mol. Its IUPAC name is N-[[6-(2,6-diethylphenyl)-2-methyl-4-propan-2-yloxy-3-pyridinyl]methyl]-N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound NameN-[[6-(2,6-diethylphenyl)-2-methyl-4-propan-2-yloxy-3-pyridinyl]methyl]-N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine
PubChem CID66994430
Molecular FormulaC29H35F3N2O
Molecular Weight484.61 g/mol
Exact Mass484.27
IUPAC NameN-[[6-(2,6-diethylphenyl)-2-methyl-4-propan-2-yloxy-3-pyridinyl]methyl]-N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine
SMILESCCc1cccc(CC)c1-c1cc(OC(C)C)c(CN(C)Cc2cccc(C(F)(F)F)c2)c(C)n1
InChIInChI=1S/C29H35F3N2O/c1-7-22-12-10-13-23(8-2)28(22)26-16-27(35-19(3)4)25(20(5)33-26)18-34(6)17-21-11-9-14-24(15-21)29(30,31)32/h9-16,19H,7-8,17-18H2,1-6H3
InChIKeyNMYSVHWYAPJGLK-UHFFFAOYSA-N
XLogP7.62
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.61
LogP ≤ 57.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[6-(2,6-diethylphenyl)-2-methyl-4-propan-2-yloxy-3-pyridinyl]methyl]-N-hexylhexan-1-amine
CID 66994684
N-[[6-(2,6-diethylphenyl)-2,4-dimethyl-3-pyridinyl]methyl]-N-methyl-1-phenylmethanamine
CID 66993843
6-(2,6-diethylphenyl)-3-[[2-fluoro-5-(trifluoromethyl)phenoxy]methyl]-4-methoxy-2-methylpyridine
CID 66993758
N-methyl-N-[(3-methylphenyl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine
CID 570901
N-benzyl-N-[[6-(2,6-diethylphenyl)-2,4-dimethyl-3-pyridinyl]methyl]pentan-3-amine
CID 66995096
3-[[methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]aniline
CID 43457992
N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]hydroxylamine
CID 105456998
N-methyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine
CID 77090966
1-ethyl-2-[[3-(trifluoromethyl)phenyl]methoxy]benzene
CID 60627169
N-methyl-N-oxido-1-[3-(trifluoromethyl)phenyl]methanamine
CID 163878102
2-chloro-3-methoxy-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]propan-1-amine
CID 63388001
N-(3-methylbutan-2-yl)-2-[methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]acetamide
CID 60502342

Frequently Asked Questions

What is the IUPAC name of N-[[6-(2,6-diethylphenyl)-2-methyl-4-propan-2-yloxy-3-pyridinyl]methyl]-N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of N-[[6-(2,6-diethylphenyl)-2-methyl-4-propan-2-yloxy-3-pyridinyl]methyl]-N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine (CID 66994430) is N-[[6-(2,6-diethylphenyl)-2-methyl-4-propan-2-yloxy-3-pyridinyl]methyl]-N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for N-[[6-(2,6-diethylphenyl)-2-methyl-4-propan-2-yloxy-3-pyridinyl]methyl]-N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for N-[[6-(2,6-diethylphenyl)-2-methyl-4-propan-2-yloxy-3-pyridinyl]methyl]-N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine is CCc1cccc(CC)c1-c1cc(OC(C)C)c(CN(C)Cc2cccc(C(F)(F)F)c2)c(C)n1.
What is the InChIKey of N-[[6-(2,6-diethylphenyl)-2-methyl-4-propan-2-yloxy-3-pyridinyl]methyl]-N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine?
The InChIKey is NMYSVHWYAPJGLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35F3N2O/c1-7-22-12-10-13-23(8-2)28(22)26-16-27(35-19(3)4)25(20(5)33-26)18-34(6)17-21-11-9-14-24(15-21)29(30,31)32/h9-16,19H,7-8,17-18H2,1-6H3.
What are the key properties of N-[[6-(2,6-diethylphenyl)-2-methyl-4-propan-2-yloxy-3-pyridinyl]methyl]-N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine?
N-[[6-(2,6-diethylphenyl)-2-methyl-4-propan-2-yloxy-3-pyridinyl]methyl]-N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine has a molecular weight of 484.61 g/mol, XLogP of 7.62, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(2,6-diethylphenyl)-2-methyl-4-propan-2-yloxy-3-pyridinyl]methyl]-N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 66994430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).