2,2-dimethyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]-1,3-dioxan-5-amine

C15H20F3NO2 — CID 104585334

IUPAC2,2-dimethyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]-1,3-dioxan-5-amine
SMILESCC(NC1COC(C)(C)OC1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H20F3NO2/c1-10(19-13-8-20-14(2,3)21-9-13)11-4-6-12(7-5-11)15(16,17)18/h4-7,10,13,19H,8-9H2,1-3H3
InChIKeyCSHYGYJZICVLOB-UHFFFAOYSA-N
MW303.32 g/mol
LogP3.51
Rot. Bonds3

About 2,2-dimethyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]-1,3-dioxan-5-amine

2,2-dimethyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]-1,3-dioxan-5-amine (PubChem CID 104585334) has the molecular formula C15H20F3NO2 and a molecular weight of 303.32 g/mol. Its IUPAC name is 2,2-dimethyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]-1,3-dioxan-5-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]-1,3-dioxan-5-amine
PubChem CID104585334
Molecular FormulaC15H20F3NO2
Molecular Weight303.32 g/mol
Exact Mass303.14
IUPAC Name2,2-dimethyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]-1,3-dioxan-5-amine
SMILESCC(NC1COC(C)(C)OC1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H20F3NO2/c1-10(19-13-8-20-14(2,3)21-9-13)11-4-6-12(7-5-11)15(16,17)18/h4-7,10,13,19H,8-9H2,1-3H3
InChIKeyCSHYGYJZICVLOB-UHFFFAOYSA-N
XLogP3.51
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,4-difluorophenyl)-N-methyl-3-morpholin-4-ylpropan-1-amine
CID 54765676
2,2-diethoxy-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 71521606
2-Morpholin-4-Yl-2-[4-(Trifluoromethyl)Phenyl]Ethylamine
CID 3871090
(3S)-3-(4-(trifluoromethyl)phenyl)morpholine
CID 95757165
(7R,9S)-9-phenyl-7-(trifluoromethyl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 12170411
3-[4-(Trifluoromethyl)phenyl]morpholine
CID 4626664
Methyl 2-[1-[4-(trifluoromethyl)phenyl]ethylamino]propanoate
CID 60780538
(2-Methoxyethyl)({1-[3-(trifluoromethyl)phenyl]ethyl})amine
CID 43177261
(1R,2S)-N-benzyl-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-(trifluoromethyl)but-3-en-1-amine
CID 11616876
(2R)-2-phenyl-2-[[(2R)-1,1,1-trifluoro-3-(2-methyl-1,3-dioxan-2-yl)propan-2-yl]amino]ethanol
CID 24950982
[2-(Benzylamino)-3,3,3-trifluoropropyl] acetate
CID 56601693
4-[(1R)-1-[4-(trifluoromethyl)phenyl]propyl]morpholine
CID 134949179

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]-1,3-dioxan-5-amine?
The IUPAC name of 2,2-dimethyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]-1,3-dioxan-5-amine (CID 104585334) is 2,2-dimethyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]-1,3-dioxan-5-amine.
What is the SMILES notation for 2,2-dimethyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]-1,3-dioxan-5-amine?
The canonical SMILES for 2,2-dimethyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]-1,3-dioxan-5-amine is CC(NC1COC(C)(C)OC1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2,2-dimethyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]-1,3-dioxan-5-amine?
The InChIKey is CSHYGYJZICVLOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3NO2/c1-10(19-13-8-20-14(2,3)21-9-13)11-4-6-12(7-5-11)15(16,17)18/h4-7,10,13,19H,8-9H2,1-3H3.
What are the key properties of 2,2-dimethyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]-1,3-dioxan-5-amine?
2,2-dimethyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]-1,3-dioxan-5-amine has a molecular weight of 303.32 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]-1,3-dioxan-5-amine is sourced from PubChem (CID 104585334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).