1-(4-chloro-2,5-difluorophenyl)-2-(2-fluorophenyl)-N-methylethanamine

C15H13ClF3N — CID 82772326

IUPAC1-(4-chloro-2,5-difluorophenyl)-2-(2-fluorophenyl)-N-methylethanamine
SMILESCNC(Cc1ccccc1F)c1cc(F)c(Cl)cc1F
InChIInChI=1S/C15H13ClF3N/c1-20-15(6-9-4-2-3-5-12(9)17)10-7-14(19)11(16)8-13(10)18/h2-5,7-8,15,20H,6H2,1H3
InChIKeyMDCRKOHHRSTUHS-UHFFFAOYSA-N
MW299.72 g/mol
LogP4.26
Rot. Bonds4

About 1-(4-chloro-2,5-difluorophenyl)-2-(2-fluorophenyl)-N-methylethanamine

1-(4-chloro-2,5-difluorophenyl)-2-(2-fluorophenyl)-N-methylethanamine (PubChem CID 82772326) has the molecular formula C15H13ClF3N and a molecular weight of 299.72 g/mol. Its IUPAC name is 1-(4-chloro-2,5-difluorophenyl)-2-(2-fluorophenyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(4-chloro-2,5-difluorophenyl)-2-(2-fluorophenyl)-N-methylethanamine
PubChem CID82772326
Molecular FormulaC15H13ClF3N
Molecular Weight299.72 g/mol
Exact Mass299.07
IUPAC Name1-(4-chloro-2,5-difluorophenyl)-2-(2-fluorophenyl)-N-methylethanamine
SMILESCNC(Cc1ccccc1F)c1cc(F)c(Cl)cc1F
InChIInChI=1S/C15H13ClF3N/c1-20-15(6-9-4-2-3-5-12(9)17)10-7-14(19)11(16)8-13(10)18/h2-5,7-8,15,20H,6H2,1H3
InChIKeyMDCRKOHHRSTUHS-UHFFFAOYSA-N
XLogP4.26
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.72
LogP ≤ 54.26
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

2-(2-fluorophenyl)-N-methyl-1-(2,4,5-trifluorophenyl)ethanamine
CID 103302394
1-(5-chloro-2-fluorophenyl)-2-(2-fluorophenyl)-N-methylethanamine
CID 61066303
1-(4-chloro-2-fluorophenyl)-2-(2-fluorophenyl)-N-methylethanamine
CID 61066122
1-(2-bromo-4-chlorophenyl)-2-(2-fluorophenyl)-N-methylethanamine
CID 107988832
2-(2-chlorophenyl)-1-(2,4-difluoro-5-methylphenyl)-N-methylethanamine
CID 79723957
2-(5-chloro-2-fluorophenyl)-1-(2-fluorophenyl)-N-methylethanamine
CID 103048641
2-(2-fluorophenyl)-N-methyl-1-(2-methylphenyl)ethanamine
CID 55026735
2-(5-chloro-2-fluorophenyl)-1-(2-chlorophenyl)-N-methylethanamine
CID 103048581
1-(3-chloro-4-methylphenyl)-2-(2-fluorophenyl)-N-methylethanamine
CID 63195375
1-(2,5-dimethylphenyl)-2-(2-fluorophenyl)-N-methylethanamine
CID 43483828
1-(4-fluoro-2-methylphenyl)-2-(2-fluorophenyl)-N-methylethanamine
CID 55116050
1-(5-bromo-2-fluorophenyl)-2-(2-chlorophenyl)-N-methylethanamine
CID 55223564

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2,5-difluorophenyl)-2-(2-fluorophenyl)-N-methylethanamine?
The IUPAC name of 1-(4-chloro-2,5-difluorophenyl)-2-(2-fluorophenyl)-N-methylethanamine (CID 82772326) is 1-(4-chloro-2,5-difluorophenyl)-2-(2-fluorophenyl)-N-methylethanamine.
What is the SMILES notation for 1-(4-chloro-2,5-difluorophenyl)-2-(2-fluorophenyl)-N-methylethanamine?
The canonical SMILES for 1-(4-chloro-2,5-difluorophenyl)-2-(2-fluorophenyl)-N-methylethanamine is CNC(Cc1ccccc1F)c1cc(F)c(Cl)cc1F.
What is the InChIKey of 1-(4-chloro-2,5-difluorophenyl)-2-(2-fluorophenyl)-N-methylethanamine?
The InChIKey is MDCRKOHHRSTUHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF3N/c1-20-15(6-9-4-2-3-5-12(9)17)10-7-14(19)11(16)8-13(10)18/h2-5,7-8,15,20H,6H2,1H3.
What are the key properties of 1-(4-chloro-2,5-difluorophenyl)-2-(2-fluorophenyl)-N-methylethanamine?
1-(4-chloro-2,5-difluorophenyl)-2-(2-fluorophenyl)-N-methylethanamine has a molecular weight of 299.72 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2,5-difluorophenyl)-2-(2-fluorophenyl)-N-methylethanamine is sourced from PubChem (CID 82772326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).