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

C16H16ClF2N — CID 103052743

IUPAC2-(5-chloro-2-fluorophenyl)-1-(2-fluoro-5-methylphenyl)-N-methylethanamine
SMILESCNC(Cc1cc(Cl)ccc1F)c1cc(C)ccc1F
InChIInChI=1S/C16H16ClF2N/c1-10-3-5-15(19)13(7-10)16(20-2)9-11-8-12(17)4-6-14(11)18/h3-8,16,20H,9H2,1-2H3
InChIKeyGLWGESSASCXBIV-UHFFFAOYSA-N
MW295.76 g/mol
LogP4.43
Rot. Bonds4

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

2-(5-chloro-2-fluorophenyl)-1-(2-fluoro-5-methylphenyl)-N-methylethanamine (PubChem CID 103052743) has the molecular formula C16H16ClF2N and a molecular weight of 295.76 g/mol. Its IUPAC name is 2-(5-chloro-2-fluorophenyl)-1-(2-fluoro-5-methylphenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(5-chloro-2-fluorophenyl)-1-(2-fluoro-5-methylphenyl)-N-methylethanamine
PubChem CID103052743
Molecular FormulaC16H16ClF2N
Molecular Weight295.76 g/mol
Exact Mass295.09
IUPAC Name2-(5-chloro-2-fluorophenyl)-1-(2-fluoro-5-methylphenyl)-N-methylethanamine
SMILESCNC(Cc1cc(Cl)ccc1F)c1cc(C)ccc1F
InChIInChI=1S/C16H16ClF2N/c1-10-3-5-15(19)13(7-10)16(20-2)9-11-8-12(17)4-6-14(11)18/h3-8,16,20H,9H2,1-2H3
InChIKeyGLWGESSASCXBIV-UHFFFAOYSA-N
XLogP4.43
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.76
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(5-chloro-2-fluorophenyl)-1-(2,4-difluoro-5-methylphenyl)-N-methylethanamine
CID 103053283
2-(5-chloro-2-fluorophenyl)-1-(2-fluorophenyl)-N-methylethanamine
CID 103048641
1-(5-chloro-2-fluorophenyl)-2-(2-fluorophenyl)-N-methylethanamine
CID 61066303
2-(5-bromo-2-fluorophenyl)-1-(2-chloro-4-methylphenyl)-N-methylethanamine
CID 106857259
2-(5-chloro-2-fluorophenyl)-1-(2-chlorophenyl)-N-methylethanamine
CID 103048581
[2-(2,5-dichlorophenyl)-1-(2-fluoro-5-methylphenyl)ethyl]hydrazine
CID 105309794
2-(5-chloro-2-fluorophenyl)-1-(3-fluoro-4-methylphenyl)-N-methylethanamine
CID 103048488
2-(5-bromo-2-fluorophenyl)-1-(2,5-dimethylphenyl)-N-methylethanamine
CID 115839478
1-(2-bromo-3,4-difluorophenyl)-2-(5-chloro-2-fluorophenyl)-N-methylethanamine
CID 107539105
1-(2-fluoro-5-methylphenyl)-N,4-dimethylpentan-1-amine
CID 62790209
2-(5-chloro-2-fluorophenyl)-1-(2,4-dibromophenyl)-N-methylethanamine
CID 107947073
1-(2,5-dimethylphenyl)-2-(2-fluorophenyl)-N-methylethanamine
CID 43483828

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-fluorophenyl)-1-(2-fluoro-5-methylphenyl)-N-methylethanamine?
The IUPAC name of 2-(5-chloro-2-fluorophenyl)-1-(2-fluoro-5-methylphenyl)-N-methylethanamine (CID 103052743) is 2-(5-chloro-2-fluorophenyl)-1-(2-fluoro-5-methylphenyl)-N-methylethanamine.
What is the SMILES notation for 2-(5-chloro-2-fluorophenyl)-1-(2-fluoro-5-methylphenyl)-N-methylethanamine?
The canonical SMILES for 2-(5-chloro-2-fluorophenyl)-1-(2-fluoro-5-methylphenyl)-N-methylethanamine is CNC(Cc1cc(Cl)ccc1F)c1cc(C)ccc1F.
What is the InChIKey of 2-(5-chloro-2-fluorophenyl)-1-(2-fluoro-5-methylphenyl)-N-methylethanamine?
The InChIKey is GLWGESSASCXBIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClF2N/c1-10-3-5-15(19)13(7-10)16(20-2)9-11-8-12(17)4-6-14(11)18/h3-8,16,20H,9H2,1-2H3.
What are the key properties of 2-(5-chloro-2-fluorophenyl)-1-(2-fluoro-5-methylphenyl)-N-methylethanamine?
2-(5-chloro-2-fluorophenyl)-1-(2-fluoro-5-methylphenyl)-N-methylethanamine has a molecular weight of 295.76 g/mol, XLogP of 4.43, 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-fluoro-5-methylphenyl)-N-methylethanamine is sourced from PubChem (CID 103052743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).