2-(3-bromo-4-fluorophenyl)-1-(5-bromofuran-2-yl)-N-ethylethanamine

C14H14Br2FNO — CID 115818887

IUPAC2-(3-bromo-4-fluorophenyl)-1-(5-bromofuran-2-yl)-N-ethylethanamine
SMILESCCNC(Cc1ccc(F)c(Br)c1)c1ccc(Br)o1
InChIInChI=1S/C14H14Br2FNO/c1-2-18-12(13-5-6-14(16)19-13)8-9-3-4-11(17)10(15)7-9/h3-7,12,18H,2,8H2,1H3
InChIKeyDHYVNCMWKQNMDF-UHFFFAOYSA-N
MW391.08 g/mol
LogP4.84
Rot. Bonds5

About 2-(3-bromo-4-fluorophenyl)-1-(5-bromofuran-2-yl)-N-ethylethanamine

2-(3-bromo-4-fluorophenyl)-1-(5-bromofuran-2-yl)-N-ethylethanamine (PubChem CID 115818887) has the molecular formula C14H14Br2FNO and a molecular weight of 391.08 g/mol. Its IUPAC name is 2-(3-bromo-4-fluorophenyl)-1-(5-bromofuran-2-yl)-N-ethylethanamine.

Molecular Properties

Compound Name2-(3-bromo-4-fluorophenyl)-1-(5-bromofuran-2-yl)-N-ethylethanamine
PubChem CID115818887
Molecular FormulaC14H14Br2FNO
Molecular Weight391.08 g/mol
Exact Mass388.94
IUPAC Name2-(3-bromo-4-fluorophenyl)-1-(5-bromofuran-2-yl)-N-ethylethanamine
SMILESCCNC(Cc1ccc(F)c(Br)c1)c1ccc(Br)o1
InChIInChI=1S/C14H14Br2FNO/c1-2-18-12(13-5-6-14(16)19-13)8-9-3-4-11(17)10(15)7-9/h3-7,12,18H,2,8H2,1H3
InChIKeyDHYVNCMWKQNMDF-UHFFFAOYSA-N
XLogP4.84
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.08
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromofuran-2-yl)-2-(3,5-difluorophenyl)-N-ethylethanamine
CID 105412461
1-(5-bromofuran-2-yl)-2-(3-bromo-4-methoxyphenyl)-N-ethylethanamine
CID 115818150
1-(5-bromofuran-2-yl)-2-(4-bromophenyl)-N-ethylethanamine
CID 61064969
1-(5-bromofuran-2-yl)-N-ethyl-2-(3-methylphenyl)ethanamine
CID 55067944
2-(3-bromo-4-fluorophenyl)-1-(3,5-dichlorophenyl)-N-ethylethanamine
CID 115818713
2-(4-bromo-2-fluorophenyl)-1-(5-bromofuran-2-yl)-N-ethylethanamine
CID 115844705
2-(3-bromo-4-fluorophenyl)-N-ethyl-1-(4-methylsulfanylphenyl)ethanamine
CID 115818820
1-(5-chlorofuran-2-yl)-2-(3,4-difluorophenyl)-N-ethylethanamine
CID 106687925
1-(5-bromofuran-2-yl)-2-(3-chloro-4-fluorophenyl)-N-methylethanamine
CID 103042976
2-(3-bromo-4-fluorophenyl)-1-(2,3-dichlorophenyl)-N-ethylethanamine
CID 115818794
2-(3-bromo-4-fluorophenyl)-1-(2,5-dichlorothiophen-3-yl)-N-ethylethanamine
CID 107968020
N-[1-(5-bromofuran-2-yl)-2-(3,5-difluorophenyl)ethyl]propan-1-amine
CID 105412533

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-fluorophenyl)-1-(5-bromofuran-2-yl)-N-ethylethanamine?
The IUPAC name of 2-(3-bromo-4-fluorophenyl)-1-(5-bromofuran-2-yl)-N-ethylethanamine (CID 115818887) is 2-(3-bromo-4-fluorophenyl)-1-(5-bromofuran-2-yl)-N-ethylethanamine.
What is the SMILES notation for 2-(3-bromo-4-fluorophenyl)-1-(5-bromofuran-2-yl)-N-ethylethanamine?
The canonical SMILES for 2-(3-bromo-4-fluorophenyl)-1-(5-bromofuran-2-yl)-N-ethylethanamine is CCNC(Cc1ccc(F)c(Br)c1)c1ccc(Br)o1.
What is the InChIKey of 2-(3-bromo-4-fluorophenyl)-1-(5-bromofuran-2-yl)-N-ethylethanamine?
The InChIKey is DHYVNCMWKQNMDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Br2FNO/c1-2-18-12(13-5-6-14(16)19-13)8-9-3-4-11(17)10(15)7-9/h3-7,12,18H,2,8H2,1H3.
What are the key properties of 2-(3-bromo-4-fluorophenyl)-1-(5-bromofuran-2-yl)-N-ethylethanamine?
2-(3-bromo-4-fluorophenyl)-1-(5-bromofuran-2-yl)-N-ethylethanamine has a molecular weight of 391.08 g/mol, XLogP of 4.84, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-fluorophenyl)-1-(5-bromofuran-2-yl)-N-ethylethanamine is sourced from PubChem (CID 115818887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).