2-(3-chloro-4-fluorophenyl)-1-(2,6-difluorophenyl)-N-ethylethanamine

C16H15ClF3N — CID 103040265

IUPAC2-(3-chloro-4-fluorophenyl)-1-(2,6-difluorophenyl)-N-ethylethanamine
SMILESCCNC(Cc1ccc(F)c(Cl)c1)c1c(F)cccc1F
InChIInChI=1S/C16H15ClF3N/c1-2-21-15(16-13(19)4-3-5-14(16)20)9-10-6-7-12(18)11(17)8-10/h3-8,15,21H,2,9H2,1H3
InChIKeyPBCMERIXUXGKHN-UHFFFAOYSA-N
MW313.75 g/mol
LogP4.65
Rot. Bonds5

About 2-(3-chloro-4-fluorophenyl)-1-(2,6-difluorophenyl)-N-ethylethanamine

2-(3-chloro-4-fluorophenyl)-1-(2,6-difluorophenyl)-N-ethylethanamine (PubChem CID 103040265) has the molecular formula C16H15ClF3N and a molecular weight of 313.75 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenyl)-1-(2,6-difluorophenyl)-N-ethylethanamine.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenyl)-1-(2,6-difluorophenyl)-N-ethylethanamine
PubChem CID103040265
Molecular FormulaC16H15ClF3N
Molecular Weight313.75 g/mol
Exact Mass313.08
IUPAC Name2-(3-chloro-4-fluorophenyl)-1-(2,6-difluorophenyl)-N-ethylethanamine
SMILESCCNC(Cc1ccc(F)c(Cl)c1)c1c(F)cccc1F
InChIInChI=1S/C16H15ClF3N/c1-2-21-15(16-13(19)4-3-5-14(16)20)9-10-6-7-12(18)11(17)8-10/h3-8,15,21H,2,9H2,1H3
InChIKeyPBCMERIXUXGKHN-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-(2,6-dichlorophenyl)-2-(3,4-dichlorophenyl)-N-ethylethanamine
CID 63527991
2-(3-chloro-4-fluorophenyl)-N-ethyl-1-(3-fluoro-2-pyridinyl)ethanamine
CID 103040362
2-(3-chloro-4-fluorophenyl)-N-ethyl-1-(furan-2-yl)ethanamine
CID 103039972
2-(3-chlorophenyl)-N-ethyl-1-(2,4,6-trifluorophenyl)ethanamine
CID 63508626
1-(2-chloro-6-fluorophenyl)-N-ethyl-2-(3-methoxyphenyl)ethanamine
CID 61066458
2-(4-chloro-2-fluorophenyl)-1-(2,6-dichlorophenyl)-N-ethylethanamine
CID 105055242
1-(2-chloro-6-fluorophenyl)-2-(2,4-dichlorophenyl)-N-ethylethanamine
CID 115839919
2-(3-bromophenyl)-1-(3-chloro-4-fluorophenyl)-N-ethylethanamine
CID 63418487
1-(5-bromothiophen-3-yl)-2-(3-chloro-4-fluorophenyl)-N-ethylethanamine
CID 103042985
2-(3-chloro-4-fluorophenyl)-N-ethyl-1-(1H-1,2,4-triazol-5-yl)ethanamine
CID 103040125
[2-(3,4-dichlorophenyl)-1-(2,6-difluorophenyl)ethyl]hydrazine
CID 105210798
2-(3-chloro-4-fluorophenyl)-N-ethyl-1-(6-methoxypyridazin-3-yl)ethanamine
CID 103374612

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenyl)-1-(2,6-difluorophenyl)-N-ethylethanamine?
The IUPAC name of 2-(3-chloro-4-fluorophenyl)-1-(2,6-difluorophenyl)-N-ethylethanamine (CID 103040265) is 2-(3-chloro-4-fluorophenyl)-1-(2,6-difluorophenyl)-N-ethylethanamine.
What is the SMILES notation for 2-(3-chloro-4-fluorophenyl)-1-(2,6-difluorophenyl)-N-ethylethanamine?
The canonical SMILES for 2-(3-chloro-4-fluorophenyl)-1-(2,6-difluorophenyl)-N-ethylethanamine is CCNC(Cc1ccc(F)c(Cl)c1)c1c(F)cccc1F.
What is the InChIKey of 2-(3-chloro-4-fluorophenyl)-1-(2,6-difluorophenyl)-N-ethylethanamine?
The InChIKey is PBCMERIXUXGKHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClF3N/c1-2-21-15(16-13(19)4-3-5-14(16)20)9-10-6-7-12(18)11(17)8-10/h3-8,15,21H,2,9H2,1H3.
What are the key properties of 2-(3-chloro-4-fluorophenyl)-1-(2,6-difluorophenyl)-N-ethylethanamine?
2-(3-chloro-4-fluorophenyl)-1-(2,6-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-(3-chloro-4-fluorophenyl)-1-(2,6-difluorophenyl)-N-ethylethanamine is sourced from PubChem (CID 103040265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).