2-(4,6-dichloro-1-benzofuran-3-yl)-N-ethylethanamine

C12H13Cl2NO — CID 81048471

IUPAC2-(4,6-dichloro-1-benzofuran-3-yl)-N-ethylethanamine
SMILESCCNCCc1coc2cc(Cl)cc(Cl)c12
InChIInChI=1S/C12H13Cl2NO/c1-2-15-4-3-8-7-16-11-6-9(13)5-10(14)12(8)11/h5-7,15H,2-4H2,1H3
InChIKeyLLGVPACBRLDVCS-UHFFFAOYSA-N
MW258.15 g/mol
LogP3.89
Rot. Bonds4

About 2-(4,6-dichloro-1-benzofuran-3-yl)-N-ethylethanamine

2-(4,6-dichloro-1-benzofuran-3-yl)-N-ethylethanamine (PubChem CID 81048471) has the molecular formula C12H13Cl2NO and a molecular weight of 258.15 g/mol. Its IUPAC name is 2-(4,6-dichloro-1-benzofuran-3-yl)-N-ethylethanamine.

Molecular Properties

Compound Name2-(4,6-dichloro-1-benzofuran-3-yl)-N-ethylethanamine
PubChem CID81048471
Molecular FormulaC12H13Cl2NO
Molecular Weight258.15 g/mol
Exact Mass257.04
IUPAC Name2-(4,6-dichloro-1-benzofuran-3-yl)-N-ethylethanamine
SMILESCCNCCc1coc2cc(Cl)cc(Cl)c12
InChIInChI=1S/C12H13Cl2NO/c1-2-15-4-3-8-7-16-11-6-9(13)5-10(14)12(8)11/h5-7,15H,2-4H2,1H3
InChIKeyLLGVPACBRLDVCS-UHFFFAOYSA-N
XLogP3.89
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.15
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(7-chloro-4-methyl-1-benzofuran-3-yl)-N-ethylethanamine
CID 81048073
2-(4-bromo-7-chloro-1-benzofuran-3-yl)-N-ethylethanamine
CID 81049786
2-(7-bromo-5-chloro-1-benzofuran-3-yl)-N-ethylethanamine
CID 81049412
N-[2-(5-chloro-4,6-dimethyl-1-benzofuran-3-yl)ethyl]propan-1-amine
CID 81048081
N-ethyl-2-(4-fluoro-7-methyl-1-benzofuran-3-yl)ethanamine
CID 102990765
N-ethyl-2-(5-phenyl-1-benzofuran-3-yl)ethanamine
CID 81035436
N-ethyl-2-(5-propyl-1-benzofuran-3-yl)ethanamine
CID 81048090
2-(5-chloro-2-fluorophenyl)-N-ethylethanamine
CID 82491545
N-ethyl-2-(5-phenoxy-1-benzofuran-3-yl)ethanamine
CID 81041074
N-[2-(4,7-dichloro-1-benzofuran-3-yl)ethyl]-2-methylpropan-2-amine
CID 81048233
2-[3-[(2,4-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-ethylethanamine
CID 62328475
N-[2-(4,6-difluoro-1-benzofuran-3-yl)ethyl]-2-methylpropan-1-amine
CID 81048280

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dichloro-1-benzofuran-3-yl)-N-ethylethanamine?
The IUPAC name of 2-(4,6-dichloro-1-benzofuran-3-yl)-N-ethylethanamine (CID 81048471) is 2-(4,6-dichloro-1-benzofuran-3-yl)-N-ethylethanamine.
What is the SMILES notation for 2-(4,6-dichloro-1-benzofuran-3-yl)-N-ethylethanamine?
The canonical SMILES for 2-(4,6-dichloro-1-benzofuran-3-yl)-N-ethylethanamine is CCNCCc1coc2cc(Cl)cc(Cl)c12.
What is the InChIKey of 2-(4,6-dichloro-1-benzofuran-3-yl)-N-ethylethanamine?
The InChIKey is LLGVPACBRLDVCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2NO/c1-2-15-4-3-8-7-16-11-6-9(13)5-10(14)12(8)11/h5-7,15H,2-4H2,1H3.
What are the key properties of 2-(4,6-dichloro-1-benzofuran-3-yl)-N-ethylethanamine?
2-(4,6-dichloro-1-benzofuran-3-yl)-N-ethylethanamine has a molecular weight of 258.15 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dichloro-1-benzofuran-3-yl)-N-ethylethanamine is sourced from PubChem (CID 81048471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).