1-(2,5-dichlorophenyl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine

C11H12Cl2F3NO — CID 103207255

IUPAC1-(2,5-dichlorophenyl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESCNC(COCC(F)(F)F)c1cc(Cl)ccc1Cl
InChIInChI=1S/C11H12Cl2F3NO/c1-17-10(5-18-6-11(14,15)16)8-4-7(12)2-3-9(8)13/h2-4,10,17H,5-6H2,1H3
InChIKeyVYWBQSVOINJDJE-UHFFFAOYSA-N
MW302.12 g/mol
LogP3.83
Rot. Bonds5

About 1-(2,5-dichlorophenyl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine

1-(2,5-dichlorophenyl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine (PubChem CID 103207255) has the molecular formula C11H12Cl2F3NO and a molecular weight of 302.12 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine
PubChem CID103207255
Molecular FormulaC11H12Cl2F3NO
Molecular Weight302.12 g/mol
Exact Mass301.02
IUPAC Name1-(2,5-dichlorophenyl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESCNC(COCC(F)(F)F)c1cc(Cl)ccc1Cl
InChIInChI=1S/C11H12Cl2F3NO/c1-17-10(5-18-6-11(14,15)16)8-4-7(12)2-3-9(8)13/h2-4,10,17H,5-6H2,1H3
InChIKeyVYWBQSVOINJDJE-UHFFFAOYSA-N
XLogP3.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.12
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromo-5-chloro-2-fluorophenyl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103207983
N-[1-(2-chloro-5-fluorophenyl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine
CID 103216525
1-(2,4-difluoro-5-methylphenyl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103207699
1-(2,5-difluoro-4-methylphenyl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103746481
1-(2,4-dichlorophenyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-2-amine
CID 103214931
1-(2,5-dichlorophenyl)-N-methylbutan-1-amine
CID 43486635
1-(2,6-difluorophenyl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103215329
3-(2,5-dichlorophenyl)-3-(methylamino)propan-1-ol
CID 64813241
1-[1-bromo-2-(2,2,2-trifluoroethoxy)ethyl]-2,4-dichlorobenzene
CID 103211043
1-(2,5-dichlorophenyl)-2-(2,2,2-trifluoroethoxyamino)ethanol
CID 82722510
1-(2,5-dichlorophenyl)-2-ethylsulfanyl-N-methylethanamine
CID 65128210
2-(2-chloro-5-fluorophenyl)-1-(2,5-dichlorophenyl)-N-methylethanamine
CID 102622559

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine?
The IUPAC name of 1-(2,5-dichlorophenyl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine (CID 103207255) is 1-(2,5-dichlorophenyl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine.
What is the SMILES notation for 1-(2,5-dichlorophenyl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine?
The canonical SMILES for 1-(2,5-dichlorophenyl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine is CNC(COCC(F)(F)F)c1cc(Cl)ccc1Cl.
What is the InChIKey of 1-(2,5-dichlorophenyl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine?
The InChIKey is VYWBQSVOINJDJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2F3NO/c1-17-10(5-18-6-11(14,15)16)8-4-7(12)2-3-9(8)13/h2-4,10,17H,5-6H2,1H3.
What are the key properties of 1-(2,5-dichlorophenyl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine?
1-(2,5-dichlorophenyl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine has a molecular weight of 302.12 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorophenyl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine is sourced from PubChem (CID 103207255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).