2,2-dimethyl-N-propyl-1-[2-(trifluoromethoxy)phenyl]propan-1-amine

C15H22F3NO — CID 63413587

IUPAC2,2-dimethyl-N-propyl-1-[2-(trifluoromethoxy)phenyl]propan-1-amine
SMILESCCCNC(c1ccccc1OC(F)(F)F)C(C)(C)C
InChIInChI=1S/C15H22F3NO/c1-5-10-19-13(14(2,3)4)11-8-6-7-9-12(11)20-15(16,17)18/h6-9,13,19H,5,10H2,1-4H3
InChIKeyVTNOFNOYZXTXRL-UHFFFAOYSA-N
MW289.34 g/mol
LogP4.67
Rot. Bonds5

About 2,2-dimethyl-N-propyl-1-[2-(trifluoromethoxy)phenyl]propan-1-amine

2,2-dimethyl-N-propyl-1-[2-(trifluoromethoxy)phenyl]propan-1-amine (PubChem CID 63413587) has the molecular formula C15H22F3NO and a molecular weight of 289.34 g/mol. Its IUPAC name is 2,2-dimethyl-N-propyl-1-[2-(trifluoromethoxy)phenyl]propan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-propyl-1-[2-(trifluoromethoxy)phenyl]propan-1-amine
PubChem CID63413587
Molecular FormulaC15H22F3NO
Molecular Weight289.34 g/mol
Exact Mass289.17
IUPAC Name2,2-dimethyl-N-propyl-1-[2-(trifluoromethoxy)phenyl]propan-1-amine
SMILESCCCNC(c1ccccc1OC(F)(F)F)C(C)(C)C
InChIInChI=1S/C15H22F3NO/c1-5-10-19-13(14(2,3)4)11-8-6-7-9-12(11)20-15(16,17)18/h6-9,13,19H,5,10H2,1-4H3
InChIKeyVTNOFNOYZXTXRL-UHFFFAOYSA-N
XLogP4.67
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethoxy-1-(2-ethoxyphenyl)-2-methyl-N-propylpropan-1-amine
CID 116727056
2,2-dimethyl-1-(2-propan-2-yloxyphenyl)-N-propylbutan-1-amine
CID 105018405
1-(2,5-dimethoxyphenyl)-2,2-dimethyl-N-propylpropan-1-amine
CID 43495216
N-ethyl-2-methyl-1-[2-(trifluoromethoxy)phenyl]pentan-1-amine
CID 115850903
1-(1-propoxyethyl)-2-(trifluoromethoxy)benzene
CID 67813246
N-ethyl-2-methoxy-3-methyl-1-[2-(trifluoromethoxy)phenyl]butan-1-amine
CID 116720263
1-butan-2-yl-2-(trifluoromethoxy)benzene;ethane
CID 142580959
2-tert-butylsulfanyl-N-ethyl-1-[2-(trifluoromethoxy)phenyl]ethanamine
CID 65133009
1-(2-chloro-4-fluorophenyl)-2,2-dimethyl-N-propylpropan-1-amine
CID 63419715
N-[1-[2-(difluoromethoxy)phenyl]-2,2-difluoroethyl]propan-1-amine
CID 80604477
1-(1-benzothiophen-7-yl)-2,2-dimethyl-N-propylpropan-1-amine
CID 81153078
1-(2,5-dimethylphenyl)-2,2-dimethyl-N-propylpropan-1-amine
CID 43496106

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-propyl-1-[2-(trifluoromethoxy)phenyl]propan-1-amine?
The IUPAC name of 2,2-dimethyl-N-propyl-1-[2-(trifluoromethoxy)phenyl]propan-1-amine (CID 63413587) is 2,2-dimethyl-N-propyl-1-[2-(trifluoromethoxy)phenyl]propan-1-amine.
What is the SMILES notation for 2,2-dimethyl-N-propyl-1-[2-(trifluoromethoxy)phenyl]propan-1-amine?
The canonical SMILES for 2,2-dimethyl-N-propyl-1-[2-(trifluoromethoxy)phenyl]propan-1-amine is CCCNC(c1ccccc1OC(F)(F)F)C(C)(C)C.
What is the InChIKey of 2,2-dimethyl-N-propyl-1-[2-(trifluoromethoxy)phenyl]propan-1-amine?
The InChIKey is VTNOFNOYZXTXRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3NO/c1-5-10-19-13(14(2,3)4)11-8-6-7-9-12(11)20-15(16,17)18/h6-9,13,19H,5,10H2,1-4H3.
What are the key properties of 2,2-dimethyl-N-propyl-1-[2-(trifluoromethoxy)phenyl]propan-1-amine?
2,2-dimethyl-N-propyl-1-[2-(trifluoromethoxy)phenyl]propan-1-amine has a molecular weight of 289.34 g/mol, XLogP of 4.67, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-propyl-1-[2-(trifluoromethoxy)phenyl]propan-1-amine is sourced from PubChem (CID 63413587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).