2-(5-chloro-2-fluorophenyl)-1-(2-chlorophenyl)-N-methylethanamine

C15H14Cl2FN — CID 103048581

IUPAC2-(5-chloro-2-fluorophenyl)-1-(2-chlorophenyl)-N-methylethanamine
SMILESCNC(Cc1cc(Cl)ccc1F)c1ccccc1Cl
InChIInChI=1S/C15H14Cl2FN/c1-19-15(12-4-2-3-5-13(12)17)9-10-8-11(16)6-7-14(10)18/h2-8,15,19H,9H2,1H3
InChIKeyYSBRMGZQENBRSE-UHFFFAOYSA-N
MW298.19 g/mol
LogP4.64
Rot. Bonds4

About 2-(5-chloro-2-fluorophenyl)-1-(2-chlorophenyl)-N-methylethanamine

2-(5-chloro-2-fluorophenyl)-1-(2-chlorophenyl)-N-methylethanamine (PubChem CID 103048581) has the molecular formula C15H14Cl2FN and a molecular weight of 298.19 g/mol. Its IUPAC name is 2-(5-chloro-2-fluorophenyl)-1-(2-chlorophenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(5-chloro-2-fluorophenyl)-1-(2-chlorophenyl)-N-methylethanamine
PubChem CID103048581
Molecular FormulaC15H14Cl2FN
Molecular Weight298.19 g/mol
Exact Mass297.05
IUPAC Name2-(5-chloro-2-fluorophenyl)-1-(2-chlorophenyl)-N-methylethanamine
SMILESCNC(Cc1cc(Cl)ccc1F)c1ccccc1Cl
InChIInChI=1S/C15H14Cl2FN/c1-19-15(12-4-2-3-5-13(12)17)9-10-8-11(16)6-7-14(10)18/h2-8,15,19H,9H2,1H3
InChIKeyYSBRMGZQENBRSE-UHFFFAOYSA-N
XLogP4.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.19
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(5-chloro-2-fluorophenyl)-1-(2-fluorophenyl)-N-methylethanamine
CID 103048641
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-(5-chloro-2-fluorophenyl)-1-(2-fluoro-5-methylphenyl)-N-methylethanamine
CID 103052743
1-(2-chloro-3-fluorophenyl)-2-(2,5-difluorophenyl)-N-methylethanamine
CID 115809397
2-(5-chloro-2-fluorophenyl)-1-(2,4-difluoro-5-methylphenyl)-N-methylethanamine
CID 103053283
1-(2-chloro-3-methylphenyl)-2-(2,5-difluorophenyl)-N-methylethanamine
CID 115809821
1-(2-bromofuran-3-yl)-2-(5-chloro-2-fluorophenyl)-N-methylethanamine
CID 106858959
1-(2-bromo-3,4-difluorophenyl)-2-(5-chloro-2-fluorophenyl)-N-methylethanamine
CID 107539105
2-(2-chloro-5-fluorophenyl)-1-(2,5-dichlorophenyl)-N-methylethanamine
CID 102622559
1-(2-bromo-4-chlorophenyl)-2-(2-fluorophenyl)-N-methylethanamine
CID 107988832
2-(5-chloro-2-fluorophenyl)-1-(2,4-dibromophenyl)-N-methylethanamine
CID 107947073

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-fluorophenyl)-1-(2-chlorophenyl)-N-methylethanamine?
The IUPAC name of 2-(5-chloro-2-fluorophenyl)-1-(2-chlorophenyl)-N-methylethanamine (CID 103048581) is 2-(5-chloro-2-fluorophenyl)-1-(2-chlorophenyl)-N-methylethanamine.
What is the SMILES notation for 2-(5-chloro-2-fluorophenyl)-1-(2-chlorophenyl)-N-methylethanamine?
The canonical SMILES for 2-(5-chloro-2-fluorophenyl)-1-(2-chlorophenyl)-N-methylethanamine is CNC(Cc1cc(Cl)ccc1F)c1ccccc1Cl.
What is the InChIKey of 2-(5-chloro-2-fluorophenyl)-1-(2-chlorophenyl)-N-methylethanamine?
The InChIKey is YSBRMGZQENBRSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2FN/c1-19-15(12-4-2-3-5-13(12)17)9-10-8-11(16)6-7-14(10)18/h2-8,15,19H,9H2,1H3.
What are the key properties of 2-(5-chloro-2-fluorophenyl)-1-(2-chlorophenyl)-N-methylethanamine?
2-(5-chloro-2-fluorophenyl)-1-(2-chlorophenyl)-N-methylethanamine has a molecular weight of 298.19 g/mol, XLogP of 4.64, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-fluorophenyl)-1-(2-chlorophenyl)-N-methylethanamine is sourced from PubChem (CID 103048581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).