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

C15H14ClF2N — CID 61066303

IUPAC1-(5-chloro-2-fluorophenyl)-2-(2-fluorophenyl)-N-methylethanamine
SMILESCNC(Cc1ccccc1F)c1cc(Cl)ccc1F
InChIInChI=1S/C15H14ClF2N/c1-19-15(8-10-4-2-3-5-13(10)17)12-9-11(16)6-7-14(12)18/h2-7,9,15,19H,8H2,1H3
InChIKeyNJPPVUFWNCADMQ-UHFFFAOYSA-N
MW281.73 g/mol
LogP4.12
Rot. Bonds4

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

1-(5-chloro-2-fluorophenyl)-2-(2-fluorophenyl)-N-methylethanamine (PubChem CID 61066303) has the molecular formula C15H14ClF2N and a molecular weight of 281.73 g/mol. Its IUPAC name is 1-(5-chloro-2-fluorophenyl)-2-(2-fluorophenyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(5-chloro-2-fluorophenyl)-2-(2-fluorophenyl)-N-methylethanamine
PubChem CID61066303
Molecular FormulaC15H14ClF2N
Molecular Weight281.73 g/mol
Exact Mass281.08
IUPAC Name1-(5-chloro-2-fluorophenyl)-2-(2-fluorophenyl)-N-methylethanamine
SMILESCNC(Cc1ccccc1F)c1cc(Cl)ccc1F
InChIInChI=1S/C15H14ClF2N/c1-19-15(8-10-4-2-3-5-13(10)17)12-9-11(16)6-7-14(12)18/h2-7,9,15,19H,8H2,1H3
InChIKeyNJPPVUFWNCADMQ-UHFFFAOYSA-N
XLogP4.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.73
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-chloro-2-fluorophenyl)-2-(2-fluorophenyl)-N-methylethanamine
CID 61066122
2-(5-chloro-2-fluorophenyl)-1-(2-fluorophenyl)-N-methylethanamine
CID 103048641
1-(2-bromo-4-chlorophenyl)-2-(2-fluorophenyl)-N-methylethanamine
CID 107988832
1-(4-chloro-2,5-difluorophenyl)-2-(2-fluorophenyl)-N-methylethanamine
CID 82772326
2-(2-fluorophenyl)-N-methyl-1-(2,4,5-trifluorophenyl)ethanamine
CID 103302394
2-(5-chloro-2-fluorophenyl)-1-(2-fluoro-5-methylphenyl)-N-methylethanamine
CID 103052743
2-(5-chloro-2-fluorophenyl)-1-(2-chlorophenyl)-N-methylethanamine
CID 103048581
2-(2-chloro-3-fluorophenyl)-1-(2,5-difluorophenyl)-N-methylethanamine
CID 115983772
2-(5-chloro-2-fluorophenyl)-1-(2,4-difluoro-5-methylphenyl)-N-methylethanamine
CID 103053283
2-(2-chloro-5-fluorophenyl)-1-(5-chloro-2-fluorophenyl)-N-methylethanamine
CID 102619421
1-(5-bromo-2-fluorophenyl)-2-(2-chlorophenyl)-N-methylethanamine
CID 55223564
2-(2-chloro-3-fluorophenyl)-1-(4-chloro-2-fluorophenyl)-N-methylethanamine
CID 115983761

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-fluorophenyl)-2-(2-fluorophenyl)-N-methylethanamine?
The IUPAC name of 1-(5-chloro-2-fluorophenyl)-2-(2-fluorophenyl)-N-methylethanamine (CID 61066303) is 1-(5-chloro-2-fluorophenyl)-2-(2-fluorophenyl)-N-methylethanamine.
What is the SMILES notation for 1-(5-chloro-2-fluorophenyl)-2-(2-fluorophenyl)-N-methylethanamine?
The canonical SMILES for 1-(5-chloro-2-fluorophenyl)-2-(2-fluorophenyl)-N-methylethanamine is CNC(Cc1ccccc1F)c1cc(Cl)ccc1F.
What is the InChIKey of 1-(5-chloro-2-fluorophenyl)-2-(2-fluorophenyl)-N-methylethanamine?
The InChIKey is NJPPVUFWNCADMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClF2N/c1-19-15(8-10-4-2-3-5-13(10)17)12-9-11(16)6-7-14(12)18/h2-7,9,15,19H,8H2,1H3.
What are the key properties of 1-(5-chloro-2-fluorophenyl)-2-(2-fluorophenyl)-N-methylethanamine?
1-(5-chloro-2-fluorophenyl)-2-(2-fluorophenyl)-N-methylethanamine has a molecular weight of 281.73 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-fluorophenyl)-2-(2-fluorophenyl)-N-methylethanamine is sourced from PubChem (CID 61066303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).