1-(5-chlorofuran-2-yl)-2-(2,5-dichlorophenyl)-N-ethylethanamine

C14H14Cl3NO — CID 106692130

IUPAC1-(5-chlorofuran-2-yl)-2-(2,5-dichlorophenyl)-N-ethylethanamine
SMILESCCNC(Cc1cc(Cl)ccc1Cl)c1ccc(Cl)o1
InChIInChI=1S/C14H14Cl3NO/c1-2-18-12(13-5-6-14(17)19-13)8-9-7-10(15)3-4-11(9)16/h3-7,12,18H,2,8H2,1H3
InChIKeyRXJBIVJRXAWXMO-UHFFFAOYSA-N
MW318.63 g/mol
LogP5.13
Rot. Bonds5

About 1-(5-chlorofuran-2-yl)-2-(2,5-dichlorophenyl)-N-ethylethanamine

1-(5-chlorofuran-2-yl)-2-(2,5-dichlorophenyl)-N-ethylethanamine (PubChem CID 106692130) has the molecular formula C14H14Cl3NO and a molecular weight of 318.63 g/mol. Its IUPAC name is 1-(5-chlorofuran-2-yl)-2-(2,5-dichlorophenyl)-N-ethylethanamine.

Molecular Properties

Compound Name1-(5-chlorofuran-2-yl)-2-(2,5-dichlorophenyl)-N-ethylethanamine
PubChem CID106692130
Molecular FormulaC14H14Cl3NO
Molecular Weight318.63 g/mol
Exact Mass317.01
IUPAC Name1-(5-chlorofuran-2-yl)-2-(2,5-dichlorophenyl)-N-ethylethanamine
SMILESCCNC(Cc1cc(Cl)ccc1Cl)c1ccc(Cl)o1
InChIInChI=1S/C14H14Cl3NO/c1-2-18-12(13-5-6-14(17)19-13)8-9-7-10(15)3-4-11(9)16/h3-7,12,18H,2,8H2,1H3
InChIKeyRXJBIVJRXAWXMO-UHFFFAOYSA-N
XLogP5.13
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.63
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,5-dichlorophenyl)-N-ethyl-1-(furan-2-yl)ethanamine
CID 65321381
1-(5-chlorofuran-2-yl)-N-ethylpropan-1-amine
CID 106691408
2-(2,5-dichlorophenyl)-1-(3,5-dichlorophenyl)-N-ethylethanamine
CID 115863164
1-(2,5-dibromophenyl)-2-(2,5-dichlorophenyl)-N-ethylethanamine
CID 115863189
1-(5-bromo-2-chlorophenyl)-2-(2,5-dichlorophenyl)-N-ethylethanamine
CID 115863240
1-(5-chlorofuran-2-yl)-2-(3,4-difluorophenyl)-N-ethylethanamine
CID 106687925
2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(5-chlorofuran-2-yl)-N-ethylethanamine
CID 106692957
1-(2,3-dichlorophenyl)-2-(2,5-dichlorophenyl)-N-ethylethanamine
CID 115863199
1-(5-chlorofuran-2-yl)-2-(2,5-dichlorophenyl)ethanamine
CID 106692129
2-(2,5-dichlorophenyl)-N-ethyl-1-(2-methylphenyl)ethanamine
CID 65321622
2-(2,5-dichlorophenyl)-1-(2,5-difluorophenyl)-N-ethylethanamine
CID 65321484
2-(2,5-dichlorophenyl)-N-ethyl-1-(5-iodothiophen-3-yl)ethanamine
CID 115863174

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorofuran-2-yl)-2-(2,5-dichlorophenyl)-N-ethylethanamine?
The IUPAC name of 1-(5-chlorofuran-2-yl)-2-(2,5-dichlorophenyl)-N-ethylethanamine (CID 106692130) is 1-(5-chlorofuran-2-yl)-2-(2,5-dichlorophenyl)-N-ethylethanamine.
What is the SMILES notation for 1-(5-chlorofuran-2-yl)-2-(2,5-dichlorophenyl)-N-ethylethanamine?
The canonical SMILES for 1-(5-chlorofuran-2-yl)-2-(2,5-dichlorophenyl)-N-ethylethanamine is CCNC(Cc1cc(Cl)ccc1Cl)c1ccc(Cl)o1.
What is the InChIKey of 1-(5-chlorofuran-2-yl)-2-(2,5-dichlorophenyl)-N-ethylethanamine?
The InChIKey is RXJBIVJRXAWXMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl3NO/c1-2-18-12(13-5-6-14(17)19-13)8-9-7-10(15)3-4-11(9)16/h3-7,12,18H,2,8H2,1H3.
What are the key properties of 1-(5-chlorofuran-2-yl)-2-(2,5-dichlorophenyl)-N-ethylethanamine?
1-(5-chlorofuran-2-yl)-2-(2,5-dichlorophenyl)-N-ethylethanamine has a molecular weight of 318.63 g/mol, XLogP of 5.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorofuran-2-yl)-2-(2,5-dichlorophenyl)-N-ethylethanamine is sourced from PubChem (CID 106692130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).