1-(5-chlorofuran-2-yl)-2-(3,4-difluorophenyl)-N-ethylethanamine

C14H14ClF2NO — CID 106687925

IUPAC1-(5-chlorofuran-2-yl)-2-(3,4-difluorophenyl)-N-ethylethanamine
SMILESCCNC(Cc1ccc(F)c(F)c1)c1ccc(Cl)o1
InChIInChI=1S/C14H14ClF2NO/c1-2-18-12(13-5-6-14(15)19-13)8-9-3-4-10(16)11(17)7-9/h3-7,12,18H,2,8H2,1H3
InChIKeyVYOFYKBAJVVZHF-UHFFFAOYSA-N
MW285.72 g/mol
LogP4.10
Rot. Bonds5

About 1-(5-chlorofuran-2-yl)-2-(3,4-difluorophenyl)-N-ethylethanamine

1-(5-chlorofuran-2-yl)-2-(3,4-difluorophenyl)-N-ethylethanamine (PubChem CID 106687925) has the molecular formula C14H14ClF2NO and a molecular weight of 285.72 g/mol. Its IUPAC name is 1-(5-chlorofuran-2-yl)-2-(3,4-difluorophenyl)-N-ethylethanamine.

Molecular Properties

Compound Name1-(5-chlorofuran-2-yl)-2-(3,4-difluorophenyl)-N-ethylethanamine
PubChem CID106687925
Molecular FormulaC14H14ClF2NO
Molecular Weight285.72 g/mol
Exact Mass285.07
IUPAC Name1-(5-chlorofuran-2-yl)-2-(3,4-difluorophenyl)-N-ethylethanamine
SMILESCCNC(Cc1ccc(F)c(F)c1)c1ccc(Cl)o1
InChIInChI=1S/C14H14ClF2NO/c1-2-18-12(13-5-6-14(15)19-13)8-9-3-4-10(16)11(17)7-9/h3-7,12,18H,2,8H2,1H3
InChIKeyVYOFYKBAJVVZHF-UHFFFAOYSA-N
XLogP4.10
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.72
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-chlorofuran-2-yl)-N-ethylpropan-1-amine
CID 106691408
1-(5-chlorofuran-2-yl)-2-(2,5-dichlorophenyl)-N-ethylethanamine
CID 106692130
[2-(3-chloro-4-fluorophenyl)-1-(5-chlorofuran-2-yl)ethyl]hydrazine
CID 106694830
2-(3-bromo-4-fluorophenyl)-1-(5-bromofuran-2-yl)-N-ethylethanamine
CID 115818887
1-(2-chloro-4-methylphenyl)-2-(3,4-difluorophenyl)-N-ethylethanamine
CID 106858425
2-(2-bromo-3-fluorophenyl)-1-(5-chlorofuran-2-yl)-N-ethylethanamine
CID 106692784
1-(5-chlorofuran-2-yl)-N-ethyl-2-pyridin-3-ylethanamine
CID 106693011
1-(3,4-difluorophenyl)-N-ethylpropan-2-amine
CID 24936146
2-(4-chloro-3-fluorophenyl)-N-ethyl-1-(furan-2-yl)ethanamine
CID 107884660
2-(3-chloro-4-fluorophenyl)-N-ethyl-1-(furan-2-yl)ethanamine
CID 103039972
N-ethyl-1-(5-ethylfuran-2-yl)-2-(3-fluoro-4-methoxyphenyl)ethanamine
CID 115829659
N-[1-(5-chlorofuran-2-yl)-2-(4-ethylphenyl)ethyl]propan-1-amine
CID 106691522

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorofuran-2-yl)-2-(3,4-difluorophenyl)-N-ethylethanamine?
The IUPAC name of 1-(5-chlorofuran-2-yl)-2-(3,4-difluorophenyl)-N-ethylethanamine (CID 106687925) is 1-(5-chlorofuran-2-yl)-2-(3,4-difluorophenyl)-N-ethylethanamine.
What is the SMILES notation for 1-(5-chlorofuran-2-yl)-2-(3,4-difluorophenyl)-N-ethylethanamine?
The canonical SMILES for 1-(5-chlorofuran-2-yl)-2-(3,4-difluorophenyl)-N-ethylethanamine is CCNC(Cc1ccc(F)c(F)c1)c1ccc(Cl)o1.
What is the InChIKey of 1-(5-chlorofuran-2-yl)-2-(3,4-difluorophenyl)-N-ethylethanamine?
The InChIKey is VYOFYKBAJVVZHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClF2NO/c1-2-18-12(13-5-6-14(15)19-13)8-9-3-4-10(16)11(17)7-9/h3-7,12,18H,2,8H2,1H3.
What are the key properties of 1-(5-chlorofuran-2-yl)-2-(3,4-difluorophenyl)-N-ethylethanamine?
1-(5-chlorofuran-2-yl)-2-(3,4-difluorophenyl)-N-ethylethanamine has a molecular weight of 285.72 g/mol, XLogP of 4.10, 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-(3,4-difluorophenyl)-N-ethylethanamine is sourced from PubChem (CID 106687925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).