2-(3-bromo-2,6-difluorophenyl)-N-ethyl-1-(2-ethylfuran-3-yl)ethanamine

C16H18BrF2NO — CID 106274346

IUPAC2-(3-bromo-2,6-difluorophenyl)-N-ethyl-1-(2-ethylfuran-3-yl)ethanamine
SMILESCCNC(Cc1c(F)ccc(Br)c1F)c1ccoc1CC
InChIInChI=1S/C16H18BrF2NO/c1-3-15-10(7-8-21-15)14(20-4-2)9-11-13(18)6-5-12(17)16(11)19/h5-8,14,20H,3-4,9H2,1-2H3
InChIKeyJTVBJBWEZAEHMP-UHFFFAOYSA-N
MW358.23 g/mol
LogP4.78
Rot. Bonds6

About 2-(3-bromo-2,6-difluorophenyl)-N-ethyl-1-(2-ethylfuran-3-yl)ethanamine

2-(3-bromo-2,6-difluorophenyl)-N-ethyl-1-(2-ethylfuran-3-yl)ethanamine (PubChem CID 106274346) has the molecular formula C16H18BrF2NO and a molecular weight of 358.23 g/mol. Its IUPAC name is 2-(3-bromo-2,6-difluorophenyl)-N-ethyl-1-(2-ethylfuran-3-yl)ethanamine.

Molecular Properties

Compound Name2-(3-bromo-2,6-difluorophenyl)-N-ethyl-1-(2-ethylfuran-3-yl)ethanamine
PubChem CID106274346
Molecular FormulaC16H18BrF2NO
Molecular Weight358.23 g/mol
Exact Mass357.05
IUPAC Name2-(3-bromo-2,6-difluorophenyl)-N-ethyl-1-(2-ethylfuran-3-yl)ethanamine
SMILESCCNC(Cc1c(F)ccc(Br)c1F)c1ccoc1CC
InChIInChI=1S/C16H18BrF2NO/c1-3-15-10(7-8-21-15)14(20-4-2)9-11-13(18)6-5-12(17)16(11)19/h5-8,14,20H,3-4,9H2,1-2H3
InChIKeyJTVBJBWEZAEHMP-UHFFFAOYSA-N
XLogP4.78
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.23
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-(3-bromo-2,6-difluorophenyl)-N-ethyl-1-(2-methylphenyl)ethanamine
CID 106266939
3-(3-bromo-2,6-difluorophenyl)-N-ethyl-1-phenylpropan-1-amine
CID 106943528
2-(3-bromo-2,6-difluorophenyl)-1-(2-ethylfuran-3-yl)ethanone
CID 106267872
1-(3-bromo-2,6-difluorophenyl)-N-ethyl-3-methoxybutan-2-amine
CID 114166240
1-(3-bromo-2,6-difluorophenyl)-N-ethyl-3-methylsulfonylpropan-2-amine
CID 106274146
1-(2-bromofuran-3-yl)-2-(2,3-difluorophenyl)-N-ethylethanamine
CID 106854724
[2-(3-bromo-2,6-difluorophenyl)-1-(5-ethylthiophen-2-yl)ethyl]hydrazine
CID 106271793
2-(2-bromo-5-fluorophenyl)-1-(2,4-difluorophenyl)-N-ethylethanamine
CID 63418093
2-(3-bromo-2,6-difluorophenyl)-1-cycloheptyl-N-ethylethanamine
CID 106267625
1-(3-bromo-2,6-difluorophenyl)-N-ethyl-4-methoxy-4-methylpentan-2-amine
CID 106274060
1-(2-bromofuran-3-yl)-N-ethyl-2-(2,4,6-trimethylphenyl)ethanamine
CID 106857185
1-(4-bromo-3-chloro-2-fluorophenyl)-2-(4-chlorophenyl)-N-ethylethanamine
CID 106762300

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-2,6-difluorophenyl)-N-ethyl-1-(2-ethylfuran-3-yl)ethanamine?
The IUPAC name of 2-(3-bromo-2,6-difluorophenyl)-N-ethyl-1-(2-ethylfuran-3-yl)ethanamine (CID 106274346) is 2-(3-bromo-2,6-difluorophenyl)-N-ethyl-1-(2-ethylfuran-3-yl)ethanamine.
What is the SMILES notation for 2-(3-bromo-2,6-difluorophenyl)-N-ethyl-1-(2-ethylfuran-3-yl)ethanamine?
The canonical SMILES for 2-(3-bromo-2,6-difluorophenyl)-N-ethyl-1-(2-ethylfuran-3-yl)ethanamine is CCNC(Cc1c(F)ccc(Br)c1F)c1ccoc1CC.
What is the InChIKey of 2-(3-bromo-2,6-difluorophenyl)-N-ethyl-1-(2-ethylfuran-3-yl)ethanamine?
The InChIKey is JTVBJBWEZAEHMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrF2NO/c1-3-15-10(7-8-21-15)14(20-4-2)9-11-13(18)6-5-12(17)16(11)19/h5-8,14,20H,3-4,9H2,1-2H3.
What are the key properties of 2-(3-bromo-2,6-difluorophenyl)-N-ethyl-1-(2-ethylfuran-3-yl)ethanamine?
2-(3-bromo-2,6-difluorophenyl)-N-ethyl-1-(2-ethylfuran-3-yl)ethanamine has a molecular weight of 358.23 g/mol, XLogP of 4.78, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-2,6-difluorophenyl)-N-ethyl-1-(2-ethylfuran-3-yl)ethanamine is sourced from PubChem (CID 106274346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).