2-(2-chloro-5-fluorophenyl)-1-(5-chloro-2-methylphenyl)-N-ethylethanamine

C17H18Cl2FN — CID 102622916

IUPAC2-(2-chloro-5-fluorophenyl)-1-(5-chloro-2-methylphenyl)-N-ethylethanamine
SMILESCCNC(Cc1cc(F)ccc1Cl)c1cc(Cl)ccc1C
InChIInChI=1S/C17H18Cl2FN/c1-3-21-17(15-10-13(18)5-4-11(15)2)9-12-8-14(20)6-7-16(12)19/h4-8,10,17,21H,3,9H2,1-2H3
InChIKeyAIFFYRMTMYRWPZ-UHFFFAOYSA-N
MW326.24 g/mol
LogP5.33
Rot. Bonds5

About 2-(2-chloro-5-fluorophenyl)-1-(5-chloro-2-methylphenyl)-N-ethylethanamine

2-(2-chloro-5-fluorophenyl)-1-(5-chloro-2-methylphenyl)-N-ethylethanamine (PubChem CID 102622916) has the molecular formula C17H18Cl2FN and a molecular weight of 326.24 g/mol. Its IUPAC name is 2-(2-chloro-5-fluorophenyl)-1-(5-chloro-2-methylphenyl)-N-ethylethanamine.

Molecular Properties

Compound Name2-(2-chloro-5-fluorophenyl)-1-(5-chloro-2-methylphenyl)-N-ethylethanamine
PubChem CID102622916
Molecular FormulaC17H18Cl2FN
Molecular Weight326.24 g/mol
Exact Mass325.08
IUPAC Name2-(2-chloro-5-fluorophenyl)-1-(5-chloro-2-methylphenyl)-N-ethylethanamine
SMILESCCNC(Cc1cc(F)ccc1Cl)c1cc(Cl)ccc1C
InChIInChI=1S/C17H18Cl2FN/c1-3-21-17(15-10-13(18)5-4-11(15)2)9-12-8-14(20)6-7-16(12)19/h4-8,10,17,21H,3,9H2,1-2H3
InChIKeyAIFFYRMTMYRWPZ-UHFFFAOYSA-N
XLogP5.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.24
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(5-chloro-2-methylphenyl)-N-ethyl-2-(4-fluoro-2-methylphenyl)ethanamine
CID 105051262
2-(2-chloro-5-fluorophenyl)-N-ethyl-1-(2-methylphenyl)ethanamine
CID 102618615
[2-(2-chloro-5-fluorophenyl)-1-(5-chloro-2-methylphenyl)ethyl]hydrazine
CID 102623551
2-(2,5-dichlorophenyl)-1-(2,5-difluorophenyl)-N-ethylethanamine
CID 65321484
2-(2-chloro-5-fluorophenyl)-N-ethyl-1-(2-fluorophenyl)ethanamine
CID 102618857
1-(2-chloro-3-fluorophenyl)-2-(2-chloro-5-fluorophenyl)-N-ethylethanamine
CID 102622933
2-(4-chloro-3-fluorophenyl)-1-(5-chloro-2-methylphenyl)-N-ethylethanamine
CID 107891773
2-(2,5-dichlorophenyl)-N-ethyl-1-(2-methylphenyl)ethanamine
CID 65321622
2-(2,4-difluorophenyl)-N-ethyl-1-(5-fluoro-2-methylphenyl)ethanamine
CID 62388925
1-(4-chloro-3-fluorophenyl)-N-ethyl-2-(5-fluoro-2-methylphenyl)ethanamine
CID 107995692
1-(5-chloro-2-methylphenyl)-2-(2,3-difluorophenyl)-N-ethylethanamine
CID 82871396
N-[2-(2-chloro-5-fluorophenyl)-1-(2-methylphenyl)ethyl]propan-1-amine
CID 102618617

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5-fluorophenyl)-1-(5-chloro-2-methylphenyl)-N-ethylethanamine?
The IUPAC name of 2-(2-chloro-5-fluorophenyl)-1-(5-chloro-2-methylphenyl)-N-ethylethanamine (CID 102622916) is 2-(2-chloro-5-fluorophenyl)-1-(5-chloro-2-methylphenyl)-N-ethylethanamine.
What is the SMILES notation for 2-(2-chloro-5-fluorophenyl)-1-(5-chloro-2-methylphenyl)-N-ethylethanamine?
The canonical SMILES for 2-(2-chloro-5-fluorophenyl)-1-(5-chloro-2-methylphenyl)-N-ethylethanamine is CCNC(Cc1cc(F)ccc1Cl)c1cc(Cl)ccc1C.
What is the InChIKey of 2-(2-chloro-5-fluorophenyl)-1-(5-chloro-2-methylphenyl)-N-ethylethanamine?
The InChIKey is AIFFYRMTMYRWPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2FN/c1-3-21-17(15-10-13(18)5-4-11(15)2)9-12-8-14(20)6-7-16(12)19/h4-8,10,17,21H,3,9H2,1-2H3.
What are the key properties of 2-(2-chloro-5-fluorophenyl)-1-(5-chloro-2-methylphenyl)-N-ethylethanamine?
2-(2-chloro-5-fluorophenyl)-1-(5-chloro-2-methylphenyl)-N-ethylethanamine has a molecular weight of 326.24 g/mol, XLogP of 5.33, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-5-fluorophenyl)-1-(5-chloro-2-methylphenyl)-N-ethylethanamine is sourced from PubChem (CID 102622916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).