2-(4-chloro-2-fluorophenyl)-1-(2,4-difluorophenyl)-N-ethylethanamine

C16H15ClF3N — CID 114855582

IUPAC2-(4-chloro-2-fluorophenyl)-1-(2,4-difluorophenyl)-N-ethylethanamine
SMILESCCNC(Cc1ccc(Cl)cc1F)c1ccc(F)cc1F
InChIInChI=1S/C16H15ClF3N/c1-2-21-16(13-6-5-12(18)9-15(13)20)7-10-3-4-11(17)8-14(10)19/h3-6,8-9,16,21H,2,7H2,1H3
InChIKeyWCBKCUZKFVTYRG-UHFFFAOYSA-N
MW313.75 g/mol
LogP4.65
Rot. Bonds5

About 2-(4-chloro-2-fluorophenyl)-1-(2,4-difluorophenyl)-N-ethylethanamine

2-(4-chloro-2-fluorophenyl)-1-(2,4-difluorophenyl)-N-ethylethanamine (PubChem CID 114855582) has the molecular formula C16H15ClF3N and a molecular weight of 313.75 g/mol. Its IUPAC name is 2-(4-chloro-2-fluorophenyl)-1-(2,4-difluorophenyl)-N-ethylethanamine.

Molecular Properties

Compound Name2-(4-chloro-2-fluorophenyl)-1-(2,4-difluorophenyl)-N-ethylethanamine
PubChem CID114855582
Molecular FormulaC16H15ClF3N
Molecular Weight313.75 g/mol
Exact Mass313.08
IUPAC Name2-(4-chloro-2-fluorophenyl)-1-(2,4-difluorophenyl)-N-ethylethanamine
SMILESCCNC(Cc1ccc(Cl)cc1F)c1ccc(F)cc1F
InChIInChI=1S/C16H15ClF3N/c1-2-21-16(13-6-5-12(18)9-15(13)20)7-10-3-4-11(17)8-14(10)19/h3-6,8-9,16,21H,2,7H2,1H3
InChIKeyWCBKCUZKFVTYRG-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

1,2-bis(4-chloro-2-fluorophenyl)-N-ethylethanamine
CID 114855618
1,2-bis(2,4-difluorophenyl)-N-ethylethanamine
CID 63084221
1-(4-chloro-2-fluorophenyl)-2-(2,4-difluorophenyl)-N-methylethanamine
CID 63081771
1-(4-chloro-2-fluorophenyl)-2-(5-chloro-2-fluorophenyl)-N-ethylethanamine
CID 103048649
2-(2,4-difluorophenyl)-N-ethyl-1-(5-fluoro-2-methylphenyl)ethanamine
CID 62388925
1-(5-chloro-2-methylphenyl)-N-ethyl-2-(4-fluoro-2-methylphenyl)ethanamine
CID 105051262
1-(2-bromo-4-fluorophenyl)-2-(2,4-dichlorophenyl)-N-ethylethanamine
CID 115839964
2-(2-bromo-5-fluorophenyl)-1-(2,4-difluorophenyl)-N-ethylethanamine
CID 63418093
2-(2,5-dichlorophenyl)-1-(2,5-difluorophenyl)-N-ethylethanamine
CID 65321484
2-(4-chloro-2-fluorophenyl)-N-ethyl-1-(5-fluoro-2-pyridinyl)ethanamine
CID 114856477
2-(4-chloro-2-fluorophenyl)-N-ethyl-1-(2-methylfuran-3-yl)ethanamine
CID 114857001
2-(4-chloro-2-fluorophenyl)-N-ethyl-1-phenylethanamine
CID 114855283

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-fluorophenyl)-1-(2,4-difluorophenyl)-N-ethylethanamine?
The IUPAC name of 2-(4-chloro-2-fluorophenyl)-1-(2,4-difluorophenyl)-N-ethylethanamine (CID 114855582) is 2-(4-chloro-2-fluorophenyl)-1-(2,4-difluorophenyl)-N-ethylethanamine.
What is the SMILES notation for 2-(4-chloro-2-fluorophenyl)-1-(2,4-difluorophenyl)-N-ethylethanamine?
The canonical SMILES for 2-(4-chloro-2-fluorophenyl)-1-(2,4-difluorophenyl)-N-ethylethanamine is CCNC(Cc1ccc(Cl)cc1F)c1ccc(F)cc1F.
What is the InChIKey of 2-(4-chloro-2-fluorophenyl)-1-(2,4-difluorophenyl)-N-ethylethanamine?
The InChIKey is WCBKCUZKFVTYRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClF3N/c1-2-21-16(13-6-5-12(18)9-15(13)20)7-10-3-4-11(17)8-14(10)19/h3-6,8-9,16,21H,2,7H2,1H3.
What are the key properties of 2-(4-chloro-2-fluorophenyl)-1-(2,4-difluorophenyl)-N-ethylethanamine?
2-(4-chloro-2-fluorophenyl)-1-(2,4-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-(4-chloro-2-fluorophenyl)-1-(2,4-difluorophenyl)-N-ethylethanamine is sourced from PubChem (CID 114855582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).