1-methyl-3-[2-propan-2-yl-5-(trifluoromethyl)phenyl]-1,3-diazinane

C15H21F3N2 — CID 147979649

IUPAC1-methyl-3-[2-propan-2-yl-5-(trifluoromethyl)phenyl]-1,3-diazinane
SMILESCC(C)c1ccc(C(F)(F)F)cc1N1CCCN(C)C1
InChIInChI=1S/C15H21F3N2/c1-11(2)13-6-5-12(15(16,17)18)9-14(13)20-8-4-7-19(3)10-20/h5-6,9,11H,4,7-8,10H2,1-3H3
InChIKeyPCTGDPPLBZUCSS-UHFFFAOYSA-N
MW286.34 g/mol
LogP3.93
Rot. Bonds2

About 1-methyl-3-[2-propan-2-yl-5-(trifluoromethyl)phenyl]-1,3-diazinane

1-methyl-3-[2-propan-2-yl-5-(trifluoromethyl)phenyl]-1,3-diazinane (PubChem CID 147979649) has the molecular formula C15H21F3N2 and a molecular weight of 286.34 g/mol. Its IUPAC name is 1-methyl-3-[2-propan-2-yl-5-(trifluoromethyl)phenyl]-1,3-diazinane.

Molecular Properties

Compound Name1-methyl-3-[2-propan-2-yl-5-(trifluoromethyl)phenyl]-1,3-diazinane
PubChem CID147979649
Molecular FormulaC15H21F3N2
Molecular Weight286.34 g/mol
Exact Mass286.17
IUPAC Name1-methyl-3-[2-propan-2-yl-5-(trifluoromethyl)phenyl]-1,3-diazinane
SMILESCC(C)c1ccc(C(F)(F)F)cc1N1CCCN(C)C1
InChIInChI=1S/C15H21F3N2/c1-11(2)13-6-5-12(15(16,17)18)9-14(13)20-8-4-7-19(3)10-20/h5-6,9,11H,4,7-8,10H2,1-3H3
InChIKeyPCTGDPPLBZUCSS-UHFFFAOYSA-N
XLogP3.93
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-propan-2-yl-5-(trifluoromethyl)phenyl]pyrrolidine
CID 130196319
3-[2-(4-chloro-2-pyrrolidin-1-ylphenyl)propyl]-1-[2-propan-2-yl-5-(trifluoromethyl)phenyl]pyrrolidine
CID 130196361
ethane;2-propan-2-yl-5-(trifluoromethyl)phenol
CID 177136292
1-methyl-4-[2-methyl-5-(trifluoromethyl)phenyl]piperazine
CID 70812559
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1-[2-prop-1-ynyl-5-(trifluoromethyl)phenyl]pyrrolidine
CID 24938344
1-propan-2-yl-2,4-bis(trifluoromethyl)benzene
CID 20613821
2-pyrrolidin-1-yl-4-(trifluoromethyl)benzenethiol
CID 144965090
2-(azetidin-1-yl)-5-(trifluoromethyl)aniline
CID 58829519
1-methyl-3-[4-methyl-2-(trifluoromethyl)phenyl]imidazolidine
CID 131995664
1-[2-ethynyl-5-(trifluoromethyl)phenyl]piperidine
CID 169489204
CID 167493286
CID 167493286

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[2-propan-2-yl-5-(trifluoromethyl)phenyl]-1,3-diazinane?
The IUPAC name of 1-methyl-3-[2-propan-2-yl-5-(trifluoromethyl)phenyl]-1,3-diazinane (CID 147979649) is 1-methyl-3-[2-propan-2-yl-5-(trifluoromethyl)phenyl]-1,3-diazinane.
What is the SMILES notation for 1-methyl-3-[2-propan-2-yl-5-(trifluoromethyl)phenyl]-1,3-diazinane?
The canonical SMILES for 1-methyl-3-[2-propan-2-yl-5-(trifluoromethyl)phenyl]-1,3-diazinane is CC(C)c1ccc(C(F)(F)F)cc1N1CCCN(C)C1.
What is the InChIKey of 1-methyl-3-[2-propan-2-yl-5-(trifluoromethyl)phenyl]-1,3-diazinane?
The InChIKey is PCTGDPPLBZUCSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2/c1-11(2)13-6-5-12(15(16,17)18)9-14(13)20-8-4-7-19(3)10-20/h5-6,9,11H,4,7-8,10H2,1-3H3.
What are the key properties of 1-methyl-3-[2-propan-2-yl-5-(trifluoromethyl)phenyl]-1,3-diazinane?
1-methyl-3-[2-propan-2-yl-5-(trifluoromethyl)phenyl]-1,3-diazinane has a molecular weight of 286.34 g/mol, XLogP of 3.93, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[2-propan-2-yl-5-(trifluoromethyl)phenyl]-1,3-diazinane is sourced from PubChem (CID 147979649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).