1,2-bis(2,4-difluorophenyl)-N-ethylethanamine

C16H15F4N — CID 63084221

IUPAC1,2-bis(2,4-difluorophenyl)-N-ethylethanamine
SMILESCCNC(Cc1ccc(F)cc1F)c1ccc(F)cc1F
InChIInChI=1S/C16H15F4N/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
InChIKeyPOOVXNHJXIIFTF-UHFFFAOYSA-N
MW297.30 g/mol
LogP4.14
Rot. Bonds5

About 1,2-bis(2,4-difluorophenyl)-N-ethylethanamine

1,2-bis(2,4-difluorophenyl)-N-ethylethanamine (PubChem CID 63084221) has the molecular formula C16H15F4N and a molecular weight of 297.30 g/mol. Its IUPAC name is 1,2-bis(2,4-difluorophenyl)-N-ethylethanamine.

Molecular Properties

Compound Name1,2-bis(2,4-difluorophenyl)-N-ethylethanamine
PubChem CID63084221
Molecular FormulaC16H15F4N
Molecular Weight297.30 g/mol
Exact Mass297.11
IUPAC Name1,2-bis(2,4-difluorophenyl)-N-ethylethanamine
SMILESCCNC(Cc1ccc(F)cc1F)c1ccc(F)cc1F
InChIInChI=1S/C16H15F4N/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
InChIKeyPOOVXNHJXIIFTF-UHFFFAOYSA-N
XLogP4.14
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.30
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-chloro-2-fluorophenyl)-1-(2,4-difluorophenyl)-N-ethylethanamine
CID 114855582
2-(2,4-difluorophenyl)-N-ethyl-1-(5-fluoro-2-methylphenyl)ethanamine
CID 62388925
1,2-bis(4-chloro-2-fluorophenyl)-N-ethylethanamine
CID 114855618
2-(2-bromo-5-fluorophenyl)-1-(2,4-difluorophenyl)-N-ethylethanamine
CID 63418093
2-(2,4-difluorophenyl)-N-ethyl-1-(2-methoxyphenyl)ethanamine
CID 62196391
2-(2,4-difluorophenyl)-1-(2,3-dimethylphenyl)-N-ethylethanamine
CID 64560633
2-(2,4-difluorophenyl)-N-ethyl-1-(4-methylphenyl)ethanamine
CID 62196079
1-(3,5-dibromophenyl)-2-(2,4-difluorophenyl)-N-ethylethanamine
CID 107974114
1-(2,4-difluorophenyl)-N-ethylpropan-2-amine
CID 62195914
1-(2,4-difluorophenyl)-N-ethyl-N',N'-dimethylethane-1,2-diamine
CID 79093891
1-(2,4-difluorophenyl)-N-ethyl-2-methoxyethanamine
CID 62801049
1-(4-chloro-2-fluorophenyl)-2-(2,4-difluorophenyl)-N-methylethanamine
CID 63081771

Frequently Asked Questions

What is the IUPAC name of 1,2-bis(2,4-difluorophenyl)-N-ethylethanamine?
The IUPAC name of 1,2-bis(2,4-difluorophenyl)-N-ethylethanamine (CID 63084221) is 1,2-bis(2,4-difluorophenyl)-N-ethylethanamine.
What is the SMILES notation for 1,2-bis(2,4-difluorophenyl)-N-ethylethanamine?
The canonical SMILES for 1,2-bis(2,4-difluorophenyl)-N-ethylethanamine is CCNC(Cc1ccc(F)cc1F)c1ccc(F)cc1F.
What is the InChIKey of 1,2-bis(2,4-difluorophenyl)-N-ethylethanamine?
The InChIKey is POOVXNHJXIIFTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F4N/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 1,2-bis(2,4-difluorophenyl)-N-ethylethanamine?
1,2-bis(2,4-difluorophenyl)-N-ethylethanamine has a molecular weight of 297.30 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(2,4-difluorophenyl)-N-ethylethanamine is sourced from PubChem (CID 63084221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).