2-(2-fluorophenyl)-N-methyl-1-(2,4,5-trifluorophenyl)ethanamine

C15H13F4N — CID 103302394

IUPAC2-(2-fluorophenyl)-N-methyl-1-(2,4,5-trifluorophenyl)ethanamine
SMILESCNC(Cc1ccccc1F)c1cc(F)c(F)cc1F
InChIInChI=1S/C15H13F4N/c1-20-15(6-9-4-2-3-5-11(9)16)10-7-13(18)14(19)8-12(10)17/h2-5,7-8,15,20H,6H2,1H3
InChIKeyXICHAHDCOPNVDU-UHFFFAOYSA-N
MW283.27 g/mol
LogP3.75
Rot. Bonds4

About 2-(2-fluorophenyl)-N-methyl-1-(2,4,5-trifluorophenyl)ethanamine

2-(2-fluorophenyl)-N-methyl-1-(2,4,5-trifluorophenyl)ethanamine (PubChem CID 103302394) has the molecular formula C15H13F4N and a molecular weight of 283.27 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-N-methyl-1-(2,4,5-trifluorophenyl)ethanamine.

Molecular Properties

Compound Name2-(2-fluorophenyl)-N-methyl-1-(2,4,5-trifluorophenyl)ethanamine
PubChem CID103302394
Molecular FormulaC15H13F4N
Molecular Weight283.27 g/mol
Exact Mass283.10
IUPAC Name2-(2-fluorophenyl)-N-methyl-1-(2,4,5-trifluorophenyl)ethanamine
SMILESCNC(Cc1ccccc1F)c1cc(F)c(F)cc1F
InChIInChI=1S/C15H13F4N/c1-20-15(6-9-4-2-3-5-11(9)16)10-7-13(18)14(19)8-12(10)17/h2-5,7-8,15,20H,6H2,1H3
InChIKeyXICHAHDCOPNVDU-UHFFFAOYSA-N
XLogP3.75
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.27
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1-(4-chloro-2,5-difluorophenyl)-2-(2-fluorophenyl)-N-methylethanamine
CID 82772326
1-(5-chloro-2-fluorophenyl)-2-(2-fluorophenyl)-N-methylethanamine
CID 61066303
1-(4-chloro-2-fluorophenyl)-2-(2-fluorophenyl)-N-methylethanamine
CID 61066122
2-(2-fluorophenyl)-N-methyl-1-(2-methylphenyl)ethanamine
CID 55026735
1-(3,4-difluorophenyl)-2-(2-fluorophenyl)-N-methylethanamine
CID 43484603
1-(2,5-dimethylphenyl)-2-(2-fluorophenyl)-N-methylethanamine
CID 43483828
1-(4-fluoro-2-methylphenyl)-2-(2-fluorophenyl)-N-methylethanamine
CID 55116050
2-(2-chlorophenyl)-1-(2,4-difluoro-5-methylphenyl)-N-methylethanamine
CID 79723957
1-(2-bromo-4-chlorophenyl)-2-(2-fluorophenyl)-N-methylethanamine
CID 107988832
2-(5-chloro-2-fluorophenyl)-1-(2-fluorophenyl)-N-methylethanamine
CID 103048641
2-(2-fluorophenyl)-1-(3-fluorophenyl)-N-methylethanamine
CID 54945904
2-(2-fluorophenyl)-N-methyl-1-(2,4,6-trimethylphenyl)ethanamine
CID 43484269

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-N-methyl-1-(2,4,5-trifluorophenyl)ethanamine?
The IUPAC name of 2-(2-fluorophenyl)-N-methyl-1-(2,4,5-trifluorophenyl)ethanamine (CID 103302394) is 2-(2-fluorophenyl)-N-methyl-1-(2,4,5-trifluorophenyl)ethanamine.
What is the SMILES notation for 2-(2-fluorophenyl)-N-methyl-1-(2,4,5-trifluorophenyl)ethanamine?
The canonical SMILES for 2-(2-fluorophenyl)-N-methyl-1-(2,4,5-trifluorophenyl)ethanamine is CNC(Cc1ccccc1F)c1cc(F)c(F)cc1F.
What is the InChIKey of 2-(2-fluorophenyl)-N-methyl-1-(2,4,5-trifluorophenyl)ethanamine?
The InChIKey is XICHAHDCOPNVDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F4N/c1-20-15(6-9-4-2-3-5-11(9)16)10-7-13(18)14(19)8-12(10)17/h2-5,7-8,15,20H,6H2,1H3.
What are the key properties of 2-(2-fluorophenyl)-N-methyl-1-(2,4,5-trifluorophenyl)ethanamine?
2-(2-fluorophenyl)-N-methyl-1-(2,4,5-trifluorophenyl)ethanamine has a molecular weight of 283.27 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-N-methyl-1-(2,4,5-trifluorophenyl)ethanamine is sourced from PubChem (CID 103302394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).