2-(2,4-dichlorophenyl)-1-(2,3-difluorophenyl)-N-ethylethanamine

C16H15Cl2F2N — CID 63988403

IUPAC2-(2,4-dichlorophenyl)-1-(2,3-difluorophenyl)-N-ethylethanamine
SMILESCCNC(Cc1ccc(Cl)cc1Cl)c1cccc(F)c1F
InChIInChI=1S/C16H15Cl2F2N/c1-2-21-15(12-4-3-5-14(19)16(12)20)8-10-6-7-11(17)9-13(10)18/h3-7,9,15,21H,2,8H2,1H3
InChIKeyUXBAAYRJXCJBAD-UHFFFAOYSA-N
MW330.21 g/mol
LogP5.16
Rot. Bonds5

About 2-(2,4-dichlorophenyl)-1-(2,3-difluorophenyl)-N-ethylethanamine

2-(2,4-dichlorophenyl)-1-(2,3-difluorophenyl)-N-ethylethanamine (PubChem CID 63988403) has the molecular formula C16H15Cl2F2N and a molecular weight of 330.21 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-1-(2,3-difluorophenyl)-N-ethylethanamine.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-1-(2,3-difluorophenyl)-N-ethylethanamine
PubChem CID63988403
Molecular FormulaC16H15Cl2F2N
Molecular Weight330.21 g/mol
Exact Mass329.05
IUPAC Name2-(2,4-dichlorophenyl)-1-(2,3-difluorophenyl)-N-ethylethanamine
SMILESCCNC(Cc1ccc(Cl)cc1Cl)c1cccc(F)c1F
InChIInChI=1S/C16H15Cl2F2N/c1-2-21-15(12-4-3-5-14(19)16(12)20)8-10-6-7-11(17)9-13(10)18/h3-7,9,15,21H,2,8H2,1H3
InChIKeyUXBAAYRJXCJBAD-UHFFFAOYSA-N
XLogP5.16
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.21
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-chloro-3-fluorophenyl)-2-(2,4-dichlorophenyl)-N-ethylethanamine
CID 115839959
1-(2-chloro-6-fluorophenyl)-2-(2,4-dichlorophenyl)-N-ethylethanamine
CID 115839919
2-(2,4-dichlorophenyl)-N-ethyl-1-(2-fluoro-5-methylphenyl)ethanamine
CID 63412980
1-(5-chloro-2-methylphenyl)-2-(2,3-difluorophenyl)-N-ethylethanamine
CID 82871396
2-(2-chloro-4-fluorophenyl)-1-(2,3-difluorophenyl)-N-methylethanamine
CID 63987777
2-(2-chloro-3-fluorophenyl)-1-(2,5-dichlorophenyl)-N-ethylethanamine
CID 105032455
1-(2-bromo-4-fluorophenyl)-2-(2,4-dichlorophenyl)-N-ethylethanamine
CID 115839964
2-(2-bromo-3-fluorophenyl)-1-(2,4-dichlorophenyl)-N-ethylethanamine
CID 105020553
1-(5-chloro-2-fluorophenyl)-2-(2-chlorophenyl)-N-ethylethanamine
CID 63527546
[1-(3-chloro-2-fluorophenyl)-2-(2,4-dichlorophenyl)ethyl]hydrazine
CID 105223436
2-(4-chloro-2-fluorophenyl)-1-(2,6-dichlorophenyl)-N-ethylethanamine
CID 105055242
1,2-bis(4-chloro-2-fluorophenyl)-N-ethylethanamine
CID 114855618

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-1-(2,3-difluorophenyl)-N-ethylethanamine?
The IUPAC name of 2-(2,4-dichlorophenyl)-1-(2,3-difluorophenyl)-N-ethylethanamine (CID 63988403) is 2-(2,4-dichlorophenyl)-1-(2,3-difluorophenyl)-N-ethylethanamine.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-1-(2,3-difluorophenyl)-N-ethylethanamine?
The canonical SMILES for 2-(2,4-dichlorophenyl)-1-(2,3-difluorophenyl)-N-ethylethanamine is CCNC(Cc1ccc(Cl)cc1Cl)c1cccc(F)c1F.
What is the InChIKey of 2-(2,4-dichlorophenyl)-1-(2,3-difluorophenyl)-N-ethylethanamine?
The InChIKey is UXBAAYRJXCJBAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2F2N/c1-2-21-15(12-4-3-5-14(19)16(12)20)8-10-6-7-11(17)9-13(10)18/h3-7,9,15,21H,2,8H2,1H3.
What are the key properties of 2-(2,4-dichlorophenyl)-1-(2,3-difluorophenyl)-N-ethylethanamine?
2-(2,4-dichlorophenyl)-1-(2,3-difluorophenyl)-N-ethylethanamine has a molecular weight of 330.21 g/mol, XLogP of 5.16, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-1-(2,3-difluorophenyl)-N-ethylethanamine is sourced from PubChem (CID 63988403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).