2-(2,4-dichlorophenyl)-N-methyl-1-(2,4,6-trifluorophenyl)ethanamine

C15H12Cl2F3N — CID 115840099

IUPAC2-(2,4-dichlorophenyl)-N-methyl-1-(2,4,6-trifluorophenyl)ethanamine
SMILESCNC(Cc1ccc(Cl)cc1Cl)c1c(F)cc(F)cc1F
InChIInChI=1S/C15H12Cl2F3N/c1-21-14(4-8-2-3-9(16)5-11(8)17)15-12(19)6-10(18)7-13(15)20/h2-3,5-7,14,21H,4H2,1H3
InChIKeyUFEXOWSGKQOLNR-UHFFFAOYSA-N
MW334.17 g/mol
LogP4.91
Rot. Bonds4

About 2-(2,4-dichlorophenyl)-N-methyl-1-(2,4,6-trifluorophenyl)ethanamine

2-(2,4-dichlorophenyl)-N-methyl-1-(2,4,6-trifluorophenyl)ethanamine (PubChem CID 115840099) has the molecular formula C15H12Cl2F3N and a molecular weight of 334.17 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-N-methyl-1-(2,4,6-trifluorophenyl)ethanamine.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-N-methyl-1-(2,4,6-trifluorophenyl)ethanamine
PubChem CID115840099
Molecular FormulaC15H12Cl2F3N
Molecular Weight334.17 g/mol
Exact Mass333.03
IUPAC Name2-(2,4-dichlorophenyl)-N-methyl-1-(2,4,6-trifluorophenyl)ethanamine
SMILESCNC(Cc1ccc(Cl)cc1Cl)c1c(F)cc(F)cc1F
InChIInChI=1S/C15H12Cl2F3N/c1-21-14(4-8-2-3-9(16)5-11(8)17)15-12(19)6-10(18)7-13(15)20/h2-3,5-7,14,21H,4H2,1H3
InChIKeyUFEXOWSGKQOLNR-UHFFFAOYSA-N
XLogP4.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.17
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-bromo-2-fluorophenyl)-N-methyl-1-(2,4,6-trifluorophenyl)ethanamine
CID 115844618
2-(2,4-dichlorophenyl)-1-(4-fluoro-3-methylphenyl)-N-methylethanamine
CID 63412888
1-(4-chloro-2-fluorophenyl)-2-(2,4-difluorophenyl)-N-methylethanamine
CID 63081771
1-(2-bromo-4-chlorophenyl)-2-(2-chloro-4-fluorophenyl)-N-methylethanamine
CID 107992572
2-(2,4-difluorophenyl)-1-(2,6-difluorophenyl)-N-methylethanamine
CID 64561397
1-(5-chloro-2-fluorophenyl)-3-(2,4-dichlorophenyl)-N-methylpropan-2-amine
CID 103048477
1-(2,6-difluoro-3-methylphenyl)-2-(2,4-difluorophenyl)-N-methylethanamine
CID 82798424
2-(2-chloro-4-fluorophenyl)-N-methyl-1-(2,4,5-trimethylfuran-3-yl)ethanamine
CID 115840518
2-(2,4-dichlorophenyl)-N-methyl-1-(5-methylfuran-3-yl)ethanamine
CID 115839913
2-(2-chloro-5-fluorophenyl)-1-(2,5-dichlorophenyl)-N-methylethanamine
CID 102622559
2-(4-bromo-2-chlorophenyl)-1-(2-bromo-6-fluorophenyl)-N-methylethanamine
CID 114886897
1-(1,3-benzothiazol-2-yl)-2-(2,4-dichlorophenyl)-N-methylethanamine
CID 43314686

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-N-methyl-1-(2,4,6-trifluorophenyl)ethanamine?
The IUPAC name of 2-(2,4-dichlorophenyl)-N-methyl-1-(2,4,6-trifluorophenyl)ethanamine (CID 115840099) is 2-(2,4-dichlorophenyl)-N-methyl-1-(2,4,6-trifluorophenyl)ethanamine.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-N-methyl-1-(2,4,6-trifluorophenyl)ethanamine?
The canonical SMILES for 2-(2,4-dichlorophenyl)-N-methyl-1-(2,4,6-trifluorophenyl)ethanamine is CNC(Cc1ccc(Cl)cc1Cl)c1c(F)cc(F)cc1F.
What is the InChIKey of 2-(2,4-dichlorophenyl)-N-methyl-1-(2,4,6-trifluorophenyl)ethanamine?
The InChIKey is UFEXOWSGKQOLNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2F3N/c1-21-14(4-8-2-3-9(16)5-11(8)17)15-12(19)6-10(18)7-13(15)20/h2-3,5-7,14,21H,4H2,1H3.
What are the key properties of 2-(2,4-dichlorophenyl)-N-methyl-1-(2,4,6-trifluorophenyl)ethanamine?
2-(2,4-dichlorophenyl)-N-methyl-1-(2,4,6-trifluorophenyl)ethanamine has a molecular weight of 334.17 g/mol, XLogP of 4.91, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-N-methyl-1-(2,4,6-trifluorophenyl)ethanamine is sourced from PubChem (CID 115840099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).