1-(3-bromofuran-2-yl)-2-(2,6-dichlorophenyl)-N-ethylethanamine

C14H14BrCl2NO — CID 63942062

IUPAC1-(3-bromofuran-2-yl)-2-(2,6-dichlorophenyl)-N-ethylethanamine
SMILESCCNC(Cc1c(Cl)cccc1Cl)c1occc1Br
InChIInChI=1S/C14H14BrCl2NO/c1-2-18-13(14-10(15)6-7-19-14)8-9-11(16)4-3-5-12(9)17/h3-7,13,18H,2,8H2,1H3
InChIKeySXEKXTSWLURDNK-UHFFFAOYSA-N
MW363.08 g/mol
LogP5.24
Rot. Bonds5

About 1-(3-bromofuran-2-yl)-2-(2,6-dichlorophenyl)-N-ethylethanamine

1-(3-bromofuran-2-yl)-2-(2,6-dichlorophenyl)-N-ethylethanamine (PubChem CID 63942062) has the molecular formula C14H14BrCl2NO and a molecular weight of 363.08 g/mol. Its IUPAC name is 1-(3-bromofuran-2-yl)-2-(2,6-dichlorophenyl)-N-ethylethanamine.

Molecular Properties

Compound Name1-(3-bromofuran-2-yl)-2-(2,6-dichlorophenyl)-N-ethylethanamine
PubChem CID63942062
Molecular FormulaC14H14BrCl2NO
Molecular Weight363.08 g/mol
Exact Mass360.96
IUPAC Name1-(3-bromofuran-2-yl)-2-(2,6-dichlorophenyl)-N-ethylethanamine
SMILESCCNC(Cc1c(Cl)cccc1Cl)c1occc1Br
InChIInChI=1S/C14H14BrCl2NO/c1-2-18-13(14-10(15)6-7-19-14)8-9-11(16)4-3-5-12(9)17/h3-7,13,18H,2,8H2,1H3
InChIKeySXEKXTSWLURDNK-UHFFFAOYSA-N
XLogP5.24
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.08
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromofuran-2-yl)-2-(2,6-dichlorophenyl)ethanol
CID 63943607
1-(3-bromofuran-2-yl)-2-(4-bromophenyl)-N-ethylethanamine
CID 63941856
1-(2-bromophenyl)-2-(2,6-dichlorophenyl)-N-ethylethanamine
CID 63415000
1-(3-bromofuran-2-yl)-N-ethyl-2-(4-methylphenyl)ethanamine
CID 63943428
1-(3-bromo-2-fluorophenyl)-2-(2,6-dichlorophenyl)-N-ethylethanamine
CID 106645460
1-(3-bromofuran-2-yl)-N-ethyl-3,3-dimethylbutan-1-amine
CID 63943052
1-(3-bromophenyl)-2-(2,6-dichlorophenyl)-N-ethylethanamine
CID 63413050
1-(3-bromofuran-2-yl)-N-ethyl-2-propan-2-ylsulfanylethanamine
CID 65131664
1-(2-bromo-4-fluorophenyl)-2-(2,6-dichlorophenyl)-N-ethylethanamine
CID 115830230
N-[1-(3-bromofuran-2-yl)-2-(4-chlorophenyl)ethyl]propan-1-amine
CID 63943030
1-(3-bromofuran-2-yl)-N-ethyl-3-propoxypropan-1-amine
CID 105150512
N-[2-(2-chloro-6-fluorophenyl)-1-(3-methylfuran-2-yl)ethyl]propan-1-amine
CID 61079881

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromofuran-2-yl)-2-(2,6-dichlorophenyl)-N-ethylethanamine?
The IUPAC name of 1-(3-bromofuran-2-yl)-2-(2,6-dichlorophenyl)-N-ethylethanamine (CID 63942062) is 1-(3-bromofuran-2-yl)-2-(2,6-dichlorophenyl)-N-ethylethanamine.
What is the SMILES notation for 1-(3-bromofuran-2-yl)-2-(2,6-dichlorophenyl)-N-ethylethanamine?
The canonical SMILES for 1-(3-bromofuran-2-yl)-2-(2,6-dichlorophenyl)-N-ethylethanamine is CCNC(Cc1c(Cl)cccc1Cl)c1occc1Br.
What is the InChIKey of 1-(3-bromofuran-2-yl)-2-(2,6-dichlorophenyl)-N-ethylethanamine?
The InChIKey is SXEKXTSWLURDNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrCl2NO/c1-2-18-13(14-10(15)6-7-19-14)8-9-11(16)4-3-5-12(9)17/h3-7,13,18H,2,8H2,1H3.
What are the key properties of 1-(3-bromofuran-2-yl)-2-(2,6-dichlorophenyl)-N-ethylethanamine?
1-(3-bromofuran-2-yl)-2-(2,6-dichlorophenyl)-N-ethylethanamine has a molecular weight of 363.08 g/mol, XLogP of 5.24, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromofuran-2-yl)-2-(2,6-dichlorophenyl)-N-ethylethanamine is sourced from PubChem (CID 63942062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).