2-(2-chloro-3-fluorophenyl)-1-(2,5-difluorophenyl)-N-ethylethanamine

C16H15ClF3N — CID 115983773

IUPAC2-(2-chloro-3-fluorophenyl)-1-(2,5-difluorophenyl)-N-ethylethanamine
SMILESCCNC(Cc1cccc(F)c1Cl)c1cc(F)ccc1F
InChIInChI=1S/C16H15ClF3N/c1-2-21-15(12-9-11(18)6-7-13(12)19)8-10-4-3-5-14(20)16(10)17/h3-7,9,15,21H,2,8H2,1H3
InChIKeyAOKCGURTYRWVIK-UHFFFAOYSA-N
MW313.75 g/mol
LogP4.65
Rot. Bonds5

About 2-(2-chloro-3-fluorophenyl)-1-(2,5-difluorophenyl)-N-ethylethanamine

2-(2-chloro-3-fluorophenyl)-1-(2,5-difluorophenyl)-N-ethylethanamine (PubChem CID 115983773) has the molecular formula C16H15ClF3N and a molecular weight of 313.75 g/mol. Its IUPAC name is 2-(2-chloro-3-fluorophenyl)-1-(2,5-difluorophenyl)-N-ethylethanamine.

Molecular Properties

Compound Name2-(2-chloro-3-fluorophenyl)-1-(2,5-difluorophenyl)-N-ethylethanamine
PubChem CID115983773
Molecular FormulaC16H15ClF3N
Molecular Weight313.75 g/mol
Exact Mass313.08
IUPAC Name2-(2-chloro-3-fluorophenyl)-1-(2,5-difluorophenyl)-N-ethylethanamine
SMILESCCNC(Cc1cccc(F)c1Cl)c1cc(F)ccc1F
InChIInChI=1S/C16H15ClF3N/c1-2-21-15(12-9-11(18)6-7-13(12)19)8-10-4-3-5-14(20)16(10)17/h3-7,9,15,21H,2,8H2,1H3
InChIKeyAOKCGURTYRWVIK-UHFFFAOYSA-N
XLogP4.65
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.75
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-chloro-3-fluorophenyl)-1-(2-chloro-4-fluorophenyl)-N-ethylethanamine
CID 115983747
2-(2-chloro-3-fluorophenyl)-1-(2,5-difluorophenyl)-N-methylethanamine
CID 115983772
2-(2-chloro-3-fluorophenyl)-1-(2,5-dichlorophenyl)-N-ethylethanamine
CID 105032455
[2-(2-chloro-3-fluorophenyl)-1-(2,5-difluorophenyl)ethyl]hydrazine
CID 105219307
1,2-bis(2-chloro-3-fluorophenyl)-N-ethylethanamine
CID 105032410
1-(2-chloro-5-fluorophenyl)-N-ethyl-2-(2-fluorophenyl)ethanamine
CID 105394794
2-(2,5-dichlorophenyl)-1-(2,5-difluorophenyl)-N-ethylethanamine
CID 65321484
1-(2-chloro-3-fluorophenyl)-2-(2-chloro-5-fluorophenyl)-N-ethylethanamine
CID 102622933
1-(2-bromo-3-fluorophenyl)-2-(2-chloro-3-fluorophenyl)-N-ethylethanamine
CID 105032691
2-(2-chloro-5-fluorophenyl)-N-ethyl-1-(2-fluorophenyl)ethanamine
CID 102618857
1-(2-bromo-5-fluorophenyl)-2-(2,3-dichlorophenyl)-N-ethylethanamine
CID 107312331
2-(2-chloro-3-fluorophenyl)-1-(3-chloro-5-methylphenyl)-N-ethylethanamine
CID 105032313

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-3-fluorophenyl)-1-(2,5-difluorophenyl)-N-ethylethanamine?
The IUPAC name of 2-(2-chloro-3-fluorophenyl)-1-(2,5-difluorophenyl)-N-ethylethanamine (CID 115983773) is 2-(2-chloro-3-fluorophenyl)-1-(2,5-difluorophenyl)-N-ethylethanamine.
What is the SMILES notation for 2-(2-chloro-3-fluorophenyl)-1-(2,5-difluorophenyl)-N-ethylethanamine?
The canonical SMILES for 2-(2-chloro-3-fluorophenyl)-1-(2,5-difluorophenyl)-N-ethylethanamine is CCNC(Cc1cccc(F)c1Cl)c1cc(F)ccc1F.
What is the InChIKey of 2-(2-chloro-3-fluorophenyl)-1-(2,5-difluorophenyl)-N-ethylethanamine?
The InChIKey is AOKCGURTYRWVIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClF3N/c1-2-21-15(12-9-11(18)6-7-13(12)19)8-10-4-3-5-14(20)16(10)17/h3-7,9,15,21H,2,8H2,1H3.
What are the key properties of 2-(2-chloro-3-fluorophenyl)-1-(2,5-difluorophenyl)-N-ethylethanamine?
2-(2-chloro-3-fluorophenyl)-1-(2,5-difluorophenyl)-N-ethylethanamine has a molecular weight of 313.75 g/mol, XLogP of 4.65, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-3-fluorophenyl)-1-(2,5-difluorophenyl)-N-ethylethanamine is sourced from PubChem (CID 115983773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).