2-(4-bromo-2-chlorophenyl)-1-(5-chlorofuran-2-yl)ethanamine

C12H10BrCl2NO — CID 106693067

IUPAC2-(4-bromo-2-chlorophenyl)-1-(5-chlorofuran-2-yl)ethanamine
SMILESNC(Cc1ccc(Br)cc1Cl)c1ccc(Cl)o1
InChIInChI=1S/C12H10BrCl2NO/c13-8-2-1-7(9(14)6-8)5-10(16)11-3-4-12(15)17-11/h1-4,6,10H,5,16H2
InChIKeyDCHBTHFMYKNBET-UHFFFAOYSA-N
MW335.03 g/mol
LogP4.59
Rot. Bonds3

About 2-(4-bromo-2-chlorophenyl)-1-(5-chlorofuran-2-yl)ethanamine

2-(4-bromo-2-chlorophenyl)-1-(5-chlorofuran-2-yl)ethanamine (PubChem CID 106693067) has the molecular formula C12H10BrCl2NO and a molecular weight of 335.03 g/mol. Its IUPAC name is 2-(4-bromo-2-chlorophenyl)-1-(5-chlorofuran-2-yl)ethanamine.

Molecular Properties

Compound Name2-(4-bromo-2-chlorophenyl)-1-(5-chlorofuran-2-yl)ethanamine
PubChem CID106693067
Molecular FormulaC12H10BrCl2NO
Molecular Weight335.03 g/mol
Exact Mass332.93
IUPAC Name2-(4-bromo-2-chlorophenyl)-1-(5-chlorofuran-2-yl)ethanamine
SMILESNC(Cc1ccc(Br)cc1Cl)c1ccc(Cl)o1
InChIInChI=1S/C12H10BrCl2NO/c13-8-2-1-7(9(14)6-8)5-10(16)11-3-4-12(15)17-11/h1-4,6,10H,5,16H2
InChIKeyDCHBTHFMYKNBET-UHFFFAOYSA-N
XLogP4.59
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.03
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromo-2-fluorophenyl)-1-(5-chlorofuran-2-yl)ethanamine
CID 106691816
1-(5-chlorofuran-2-yl)-2-(2,5-dichlorophenyl)ethanamine
CID 106692129
2-(4-bromo-2-chlorophenyl)-1-(4-fluorophenyl)ethanamine
CID 113471237
2-(4-bromo-2-chlorophenyl)-1-(2,5-dichlorophenyl)ethanamine
CID 105037869
1-(4-bromo-2-chlorophenyl)-2-(2-chloro-4-methylphenyl)ethanamine
CID 106867036
2-(4-bromo-2-chlorophenyl)-1-(3-bromothiophen-2-yl)ethanamine
CID 105038039
2-(4-bromo-2-chlorophenyl)-1-(3-chloro-2-pyridinyl)ethanamine
CID 103443743
2-(4-bromo-2-chlorophenyl)-1-(2-fluorophenyl)ethanamine
CID 113471264
[2-(4-bromo-2-chlorophenyl)-1-(5-methylfuran-2-yl)ethyl]hydrazine
CID 105335235
2-(4-bromo-2-chlorophenyl)-1-(3,5-dimethoxyphenyl)ethanamine
CID 105037979
2-(4-bromo-2-chlorophenyl)-1-(5-methylthiophen-2-yl)ethanamine
CID 105038016
2-(4-bromo-2-chlorophenyl)-1-(4-bromo-2-methoxyphenyl)ethanamine
CID 105038050

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-chlorophenyl)-1-(5-chlorofuran-2-yl)ethanamine?
The IUPAC name of 2-(4-bromo-2-chlorophenyl)-1-(5-chlorofuran-2-yl)ethanamine (CID 106693067) is 2-(4-bromo-2-chlorophenyl)-1-(5-chlorofuran-2-yl)ethanamine.
What is the SMILES notation for 2-(4-bromo-2-chlorophenyl)-1-(5-chlorofuran-2-yl)ethanamine?
The canonical SMILES for 2-(4-bromo-2-chlorophenyl)-1-(5-chlorofuran-2-yl)ethanamine is NC(Cc1ccc(Br)cc1Cl)c1ccc(Cl)o1.
What is the InChIKey of 2-(4-bromo-2-chlorophenyl)-1-(5-chlorofuran-2-yl)ethanamine?
The InChIKey is DCHBTHFMYKNBET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrCl2NO/c13-8-2-1-7(9(14)6-8)5-10(16)11-3-4-12(15)17-11/h1-4,6,10H,5,16H2.
What are the key properties of 2-(4-bromo-2-chlorophenyl)-1-(5-chlorofuran-2-yl)ethanamine?
2-(4-bromo-2-chlorophenyl)-1-(5-chlorofuran-2-yl)ethanamine has a molecular weight of 335.03 g/mol, XLogP of 4.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-chlorophenyl)-1-(5-chlorofuran-2-yl)ethanamine is sourced from PubChem (CID 106693067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).