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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).