2-(4-bromo-2-fluorophenyl)-N-ethyl-1-(3-fluorophenyl)ethanamine

C16H16BrF2N — CID 63414422

IUPAC2-(4-bromo-2-fluorophenyl)-N-ethyl-1-(3-fluorophenyl)ethanamine
SMILESCCNC(Cc1ccc(Br)cc1F)c1cccc(F)c1
InChIInChI=1S/C16H16BrF2N/c1-2-20-16(12-4-3-5-14(18)8-12)9-11-6-7-13(17)10-15(11)19/h3-8,10,16,20H,2,9H2,1H3
InChIKeyCUIJAQXTFDHTNZ-UHFFFAOYSA-N
MW340.21 g/mol
LogP4.62
Rot. Bonds5

About 2-(4-bromo-2-fluorophenyl)-N-ethyl-1-(3-fluorophenyl)ethanamine

2-(4-bromo-2-fluorophenyl)-N-ethyl-1-(3-fluorophenyl)ethanamine (PubChem CID 63414422) has the molecular formula C16H16BrF2N and a molecular weight of 340.21 g/mol. Its IUPAC name is 2-(4-bromo-2-fluorophenyl)-N-ethyl-1-(3-fluorophenyl)ethanamine.

Molecular Properties

Compound Name2-(4-bromo-2-fluorophenyl)-N-ethyl-1-(3-fluorophenyl)ethanamine
PubChem CID63414422
Molecular FormulaC16H16BrF2N
Molecular Weight340.21 g/mol
Exact Mass339.04
IUPAC Name2-(4-bromo-2-fluorophenyl)-N-ethyl-1-(3-fluorophenyl)ethanamine
SMILESCCNC(Cc1ccc(Br)cc1F)c1cccc(F)c1
InChIInChI=1S/C16H16BrF2N/c1-2-20-16(12-4-3-5-14(18)8-12)9-11-6-7-13(17)10-15(11)19/h3-8,10,16,20H,2,9H2,1H3
InChIKeyCUIJAQXTFDHTNZ-UHFFFAOYSA-N
XLogP4.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.21
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-bromo-2-fluorophenyl)-1-(3-chlorophenyl)-N-ethylethanamine
CID 63412537
1-(3,5-dibromophenyl)-2-(2,4-difluorophenyl)-N-ethylethanamine
CID 107974114
2-(4-bromo-2-fluorophenyl)-N-ethyl-1-thiophen-3-ylethanamine
CID 55095736
2-(3-bromo-5-fluorophenyl)-N-ethyl-1-(3-fluorophenyl)ethanamine
CID 79702815
1-(4-bromo-2-chlorophenyl)-2-(4-bromo-2-fluorophenyl)-N-ethylethanamine
CID 115844408
2-(4-bromo-2-fluorophenyl)-1-(5-bromofuran-2-yl)-N-ethylethanamine
CID 115844705
2-(4-bromo-2-fluorophenyl)-1-(3-chlorophenyl)-N-methylethanamine
CID 55186986
2-(2,4-difluorophenyl)-N-ethyl-1-(4-methylphenyl)ethanamine
CID 62196079
2-(4-chloro-2-fluorophenyl)-N-ethyl-1-phenylethanamine
CID 114855283
2-(4-bromo-2-fluorophenyl)-N-ethyl-1-(3-methylthiophen-2-yl)ethanamine
CID 115844450
1-(3-bromophenyl)-2-(4-bromophenyl)-N-ethylethanamine
CID 60819896
N-[(4-bromophenyl)-(3-fluorophenyl)methyl]ethanamine
CID 43488690

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-fluorophenyl)-N-ethyl-1-(3-fluorophenyl)ethanamine?
The IUPAC name of 2-(4-bromo-2-fluorophenyl)-N-ethyl-1-(3-fluorophenyl)ethanamine (CID 63414422) is 2-(4-bromo-2-fluorophenyl)-N-ethyl-1-(3-fluorophenyl)ethanamine.
What is the SMILES notation for 2-(4-bromo-2-fluorophenyl)-N-ethyl-1-(3-fluorophenyl)ethanamine?
The canonical SMILES for 2-(4-bromo-2-fluorophenyl)-N-ethyl-1-(3-fluorophenyl)ethanamine is CCNC(Cc1ccc(Br)cc1F)c1cccc(F)c1.
What is the InChIKey of 2-(4-bromo-2-fluorophenyl)-N-ethyl-1-(3-fluorophenyl)ethanamine?
The InChIKey is CUIJAQXTFDHTNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrF2N/c1-2-20-16(12-4-3-5-14(18)8-12)9-11-6-7-13(17)10-15(11)19/h3-8,10,16,20H,2,9H2,1H3.
What are the key properties of 2-(4-bromo-2-fluorophenyl)-N-ethyl-1-(3-fluorophenyl)ethanamine?
2-(4-bromo-2-fluorophenyl)-N-ethyl-1-(3-fluorophenyl)ethanamine has a molecular weight of 340.21 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-fluorophenyl)-N-ethyl-1-(3-fluorophenyl)ethanamine is sourced from PubChem (CID 63414422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).