1-(3,5-dibromophenyl)-2-(2,4-difluorophenyl)-N-ethylethanamine

C16H15Br2F2N — CID 107974114

IUPAC1-(3,5-dibromophenyl)-2-(2,4-difluorophenyl)-N-ethylethanamine
SMILESCCNC(Cc1ccc(F)cc1F)c1cc(Br)cc(Br)c1
InChIInChI=1S/C16H15Br2F2N/c1-2-21-16(11-5-12(17)8-13(18)6-11)7-10-3-4-14(19)9-15(10)20/h3-6,8-9,16,21H,2,7H2,1H3
InChIKeyCZYYKVGCFAXFMQ-UHFFFAOYSA-N
MW419.11 g/mol
LogP5.38
Rot. Bonds5

About 1-(3,5-dibromophenyl)-2-(2,4-difluorophenyl)-N-ethylethanamine

1-(3,5-dibromophenyl)-2-(2,4-difluorophenyl)-N-ethylethanamine (PubChem CID 107974114) has the molecular formula C16H15Br2F2N and a molecular weight of 419.11 g/mol. Its IUPAC name is 1-(3,5-dibromophenyl)-2-(2,4-difluorophenyl)-N-ethylethanamine.

Molecular Properties

Compound Name1-(3,5-dibromophenyl)-2-(2,4-difluorophenyl)-N-ethylethanamine
PubChem CID107974114
Molecular FormulaC16H15Br2F2N
Molecular Weight419.11 g/mol
Exact Mass416.95
IUPAC Name1-(3,5-dibromophenyl)-2-(2,4-difluorophenyl)-N-ethylethanamine
SMILESCCNC(Cc1ccc(F)cc1F)c1cc(Br)cc(Br)c1
InChIInChI=1S/C16H15Br2F2N/c1-2-21-16(11-5-12(17)8-13(18)6-11)7-10-3-4-14(19)9-15(10)20/h3-6,8-9,16,21H,2,7H2,1H3
InChIKeyCZYYKVGCFAXFMQ-UHFFFAOYSA-N
XLogP5.38
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.11
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-chloro-4-fluorophenyl)-1-(3,5-dibromophenyl)-N-ethylethanamine
CID 107974364
2-(2-bromo-5-fluorophenyl)-1-(3,5-dibromophenyl)-N-ethylethanamine
CID 107974490
2-(2,4-difluorophenyl)-N-ethyl-1-(4-methylphenyl)ethanamine
CID 62196079
2-(4-bromo-2-fluorophenyl)-N-ethyl-1-(3-fluorophenyl)ethanamine
CID 63414422
1,2-bis(2,4-difluorophenyl)-N-ethylethanamine
CID 63084221
2-(2,4-difluorophenyl)-N-ethyl-1-(5-fluoro-2-methylphenyl)ethanamine
CID 62388925
1-(3-bromo-5-fluorophenyl)-N-ethyl-2-(2-methylphenyl)ethanamine
CID 63526719
2-(2-bromo-4-fluorophenyl)-1-(4-chlorophenyl)-N-ethylethanamine
CID 63414075
1-(3,5-dibromophenyl)-2-(2,5-difluorophenyl)-N-methylethanamine
CID 107973909
1-(2,4-difluorophenyl)-N-ethylpropan-2-amine
CID 62195914
2-(4-chloro-2-fluorophenyl)-1-(2,4-difluorophenyl)-N-ethylethanamine
CID 114855582
2-(4-bromo-2-fluorophenyl)-N-ethyl-1-thiophen-3-ylethanamine
CID 55095736

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dibromophenyl)-2-(2,4-difluorophenyl)-N-ethylethanamine?
The IUPAC name of 1-(3,5-dibromophenyl)-2-(2,4-difluorophenyl)-N-ethylethanamine (CID 107974114) is 1-(3,5-dibromophenyl)-2-(2,4-difluorophenyl)-N-ethylethanamine.
What is the SMILES notation for 1-(3,5-dibromophenyl)-2-(2,4-difluorophenyl)-N-ethylethanamine?
The canonical SMILES for 1-(3,5-dibromophenyl)-2-(2,4-difluorophenyl)-N-ethylethanamine is CCNC(Cc1ccc(F)cc1F)c1cc(Br)cc(Br)c1.
What is the InChIKey of 1-(3,5-dibromophenyl)-2-(2,4-difluorophenyl)-N-ethylethanamine?
The InChIKey is CZYYKVGCFAXFMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Br2F2N/c1-2-21-16(11-5-12(17)8-13(18)6-11)7-10-3-4-14(19)9-15(10)20/h3-6,8-9,16,21H,2,7H2,1H3.
What are the key properties of 1-(3,5-dibromophenyl)-2-(2,4-difluorophenyl)-N-ethylethanamine?
1-(3,5-dibromophenyl)-2-(2,4-difluorophenyl)-N-ethylethanamine has a molecular weight of 419.11 g/mol, XLogP of 5.38, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dibromophenyl)-2-(2,4-difluorophenyl)-N-ethylethanamine is sourced from PubChem (CID 107974114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).