N-methyl-2-(oxolan-2-yl)-1-[2-(trifluoromethyl)phenyl]ethanamine

C14H18F3NO — CID 62800663

IUPACN-methyl-2-(oxolan-2-yl)-1-[2-(trifluoromethyl)phenyl]ethanamine
SMILESCNC(CC1CCCO1)c1ccccc1C(F)(F)F
InChIInChI=1S/C14H18F3NO/c1-18-13(9-10-5-4-8-19-10)11-6-2-3-7-12(11)14(15,16)17/h2-3,6-7,10,13,18H,4-5,8-9H2,1H3
InChIKeyLIZOTORVWDMCNL-UHFFFAOYSA-N
MW273.30 g/mol
LogP3.54
Rot. Bonds4

About N-methyl-2-(oxolan-2-yl)-1-[2-(trifluoromethyl)phenyl]ethanamine

N-methyl-2-(oxolan-2-yl)-1-[2-(trifluoromethyl)phenyl]ethanamine (PubChem CID 62800663) has the molecular formula C14H18F3NO and a molecular weight of 273.30 g/mol. Its IUPAC name is N-methyl-2-(oxolan-2-yl)-1-[2-(trifluoromethyl)phenyl]ethanamine.

Molecular Properties

Compound NameN-methyl-2-(oxolan-2-yl)-1-[2-(trifluoromethyl)phenyl]ethanamine
PubChem CID62800663
Molecular FormulaC14H18F3NO
Molecular Weight273.30 g/mol
Exact Mass273.13
IUPAC NameN-methyl-2-(oxolan-2-yl)-1-[2-(trifluoromethyl)phenyl]ethanamine
SMILESCNC(CC1CCCO1)c1ccccc1C(F)(F)F
InChIInChI=1S/C14H18F3NO/c1-18-13(9-10-5-4-8-19-10)11-6-2-3-7-12(11)14(15,16)17/h2-3,6-7,10,13,18H,4-5,8-9H2,1H3
InChIKeyLIZOTORVWDMCNL-UHFFFAOYSA-N
XLogP3.54
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-4-(oxolan-2-yl)-1-[2-(trifluoromethyl)phenyl]butan-1-amine
CID 104993115
N-methyl-2-(oxolan-2-yl)-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 62791871
(1S)-N-methyl-1-[2-(trifluoromethyl)phenyl]propan-1-amine
CID 24890731
[3-(oxan-2-yl)-1-[2-(trifluoromethyl)phenyl]propyl]hydrazine
CID 105304775
N-methyl-1-(4-methyl-3-pyridinyl)-2-(oxolan-2-yl)ethanamine
CID 66272484
N-methyl-1-(2-methylthiophen-3-yl)-2-(oxolan-2-yl)ethanamine
CID 102831896
1-(2,3-dichlorophenyl)-N-methyl-2-(oxan-2-yl)ethanamine
CID 113391584
1-(1-benzofuran-2-yl)-N-methyl-2-(oxolan-2-yl)ethanamine
CID 55180087
1-(2,5-dibromo-4-methylphenyl)-N-methyl-2-(oxolan-2-yl)ethanamine
CID 81473748
N-methyl-1-naphthalen-2-yl-2-(oxolan-2-yl)ethanamine
CID 55104166
1-(2,5-dimethylthiophen-3-yl)-N-methyl-2-(oxolan-2-yl)ethanamine
CID 65156217
N-methyl-3-(oxolan-2-yl)-1-[4-(trifluoromethyl)phenyl]propan-1-amine
CID 115852134

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(oxolan-2-yl)-1-[2-(trifluoromethyl)phenyl]ethanamine?
The IUPAC name of N-methyl-2-(oxolan-2-yl)-1-[2-(trifluoromethyl)phenyl]ethanamine (CID 62800663) is N-methyl-2-(oxolan-2-yl)-1-[2-(trifluoromethyl)phenyl]ethanamine.
What is the SMILES notation for N-methyl-2-(oxolan-2-yl)-1-[2-(trifluoromethyl)phenyl]ethanamine?
The canonical SMILES for N-methyl-2-(oxolan-2-yl)-1-[2-(trifluoromethyl)phenyl]ethanamine is CNC(CC1CCCO1)c1ccccc1C(F)(F)F.
What is the InChIKey of N-methyl-2-(oxolan-2-yl)-1-[2-(trifluoromethyl)phenyl]ethanamine?
The InChIKey is LIZOTORVWDMCNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NO/c1-18-13(9-10-5-4-8-19-10)11-6-2-3-7-12(11)14(15,16)17/h2-3,6-7,10,13,18H,4-5,8-9H2,1H3.
What are the key properties of N-methyl-2-(oxolan-2-yl)-1-[2-(trifluoromethyl)phenyl]ethanamine?
N-methyl-2-(oxolan-2-yl)-1-[2-(trifluoromethyl)phenyl]ethanamine has a molecular weight of 273.30 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(oxolan-2-yl)-1-[2-(trifluoromethyl)phenyl]ethanamine is sourced from PubChem (CID 62800663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).