2-(2,3-dichlorophenyl)-1-(5-methylfuran-3-yl)ethanamine

C13H13Cl2NO — CID 107312036

IUPAC2-(2,3-dichlorophenyl)-1-(5-methylfuran-3-yl)ethanamine
SMILESCc1cc(C(N)Cc2cccc(Cl)c2Cl)co1
InChIInChI=1S/C13H13Cl2NO/c1-8-5-10(7-17-8)12(16)6-9-3-2-4-11(14)13(9)15/h2-5,7,12H,6,16H2,1H3
InChIKeyYFESKXCWXOIQJI-UHFFFAOYSA-N
MW270.16 g/mol
LogP4.14
Rot. Bonds3

About 2-(2,3-dichlorophenyl)-1-(5-methylfuran-3-yl)ethanamine

2-(2,3-dichlorophenyl)-1-(5-methylfuran-3-yl)ethanamine (PubChem CID 107312036) has the molecular formula C13H13Cl2NO and a molecular weight of 270.16 g/mol. Its IUPAC name is 2-(2,3-dichlorophenyl)-1-(5-methylfuran-3-yl)ethanamine.

Molecular Properties

Compound Name2-(2,3-dichlorophenyl)-1-(5-methylfuran-3-yl)ethanamine
PubChem CID107312036
Molecular FormulaC13H13Cl2NO
Molecular Weight270.16 g/mol
Exact Mass269.04
IUPAC Name2-(2,3-dichlorophenyl)-1-(5-methylfuran-3-yl)ethanamine
SMILESCc1cc(C(N)Cc2cccc(Cl)c2Cl)co1
InChIInChI=1S/C13H13Cl2NO/c1-8-5-10(7-17-8)12(16)6-9-3-2-4-11(14)13(9)15/h2-5,7,12H,6,16H2,1H3
InChIKeyYFESKXCWXOIQJI-UHFFFAOYSA-N
XLogP4.14
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.16
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromophenyl)-2-(2,3-dichlorophenyl)ethanamine
CID 107308364
1-(3-chloro-2-methylphenyl)-2-(2,3-dichlorophenyl)ethanamine
CID 107312388
1-(4-chloro-3-fluorophenyl)-2-(2,3-dichlorophenyl)ethanamine
CID 107996136
[2-(2,6-dichlorophenyl)-1-(5-methylfuran-3-yl)ethyl]hydrazine
CID 105293152
2-(2,3-dichlorophenyl)-1-pyridin-3-ylethanamine
CID 21148415
2-(2,3-dichlorophenyl)-1-(3-propoxyphenyl)ethanamine
CID 107311964
2-(2,3-dichlorophenyl)-1-quinoxalin-6-ylethanamine
CID 107308633
[2-(2,3-dichlorophenyl)-1-(2,5-dimethylfuran-3-yl)ethyl]hydrazine
CID 107312863
2-(5-bromo-2-fluorophenyl)-1-(5-methylfuran-3-yl)ethanamine
CID 115839341
1-(2,3-dichlorophenyl)-3-(4-methylphenyl)sulfanylpropan-2-amine
CID 107308753
2-(2,3-dichlorophenyl)-1-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 107311807
1-(2,3-dichlorophenyl)pentan-2-amine
CID 84752925

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dichlorophenyl)-1-(5-methylfuran-3-yl)ethanamine?
The IUPAC name of 2-(2,3-dichlorophenyl)-1-(5-methylfuran-3-yl)ethanamine (CID 107312036) is 2-(2,3-dichlorophenyl)-1-(5-methylfuran-3-yl)ethanamine.
What is the SMILES notation for 2-(2,3-dichlorophenyl)-1-(5-methylfuran-3-yl)ethanamine?
The canonical SMILES for 2-(2,3-dichlorophenyl)-1-(5-methylfuran-3-yl)ethanamine is Cc1cc(C(N)Cc2cccc(Cl)c2Cl)co1.
What is the InChIKey of 2-(2,3-dichlorophenyl)-1-(5-methylfuran-3-yl)ethanamine?
The InChIKey is YFESKXCWXOIQJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2NO/c1-8-5-10(7-17-8)12(16)6-9-3-2-4-11(14)13(9)15/h2-5,7,12H,6,16H2,1H3.
What are the key properties of 2-(2,3-dichlorophenyl)-1-(5-methylfuran-3-yl)ethanamine?
2-(2,3-dichlorophenyl)-1-(5-methylfuran-3-yl)ethanamine has a molecular weight of 270.16 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dichlorophenyl)-1-(5-methylfuran-3-yl)ethanamine is sourced from PubChem (CID 107312036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).