1-(5-chlorofuran-2-yl)-N-ethyl-2-(oxan-4-yl)ethanamine

C13H20ClNO2 — CID 106691857

IUPAC1-(5-chlorofuran-2-yl)-N-ethyl-2-(oxan-4-yl)ethanamine
SMILESCCNC(CC1CCOCC1)c1ccc(Cl)o1
InChIInChI=1S/C13H20ClNO2/c1-2-15-11(12-3-4-13(14)17-12)9-10-5-7-16-8-6-10/h3-4,10-11,15H,2,5-9H2,1H3
InChIKeyADDRHXFPXBIXIP-UHFFFAOYSA-N
MW257.76 g/mol
LogP3.40
Rot. Bonds5

About 1-(5-chlorofuran-2-yl)-N-ethyl-2-(oxan-4-yl)ethanamine

1-(5-chlorofuran-2-yl)-N-ethyl-2-(oxan-4-yl)ethanamine (PubChem CID 106691857) has the molecular formula C13H20ClNO2 and a molecular weight of 257.76 g/mol. Its IUPAC name is 1-(5-chlorofuran-2-yl)-N-ethyl-2-(oxan-4-yl)ethanamine.

Molecular Properties

Compound Name1-(5-chlorofuran-2-yl)-N-ethyl-2-(oxan-4-yl)ethanamine
PubChem CID106691857
Molecular FormulaC13H20ClNO2
Molecular Weight257.76 g/mol
Exact Mass257.12
IUPAC Name1-(5-chlorofuran-2-yl)-N-ethyl-2-(oxan-4-yl)ethanamine
SMILESCCNC(CC1CCOCC1)c1ccc(Cl)o1
InChIInChI=1S/C13H20ClNO2/c1-2-15-11(12-3-4-13(14)17-12)9-10-5-7-16-8-6-10/h3-4,10-11,15H,2,5-9H2,1H3
InChIKeyADDRHXFPXBIXIP-UHFFFAOYSA-N
XLogP3.40
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.76
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chlorofuran-2-yl)-N-ethylpropan-1-amine
CID 106691408
1-(2,3-dichlorophenyl)-N-ethyl-2-(oxan-4-yl)ethanamine
CID 115846928
1-(3-chloro-2-methylphenyl)-N-ethyl-2-(oxan-4-yl)ethanamine
CID 107102229
1-(2-chloro-4-methylphenyl)-N-ethyl-2-(oxan-4-yl)ethanamine
CID 106857381
1-(7-bromo-1-benzofuran-2-yl)-N-ethyl-2-(oxan-4-yl)ethanamine
CID 105138802
[1-(5-chlorofuran-2-yl)-2-cyclopropylethyl]hydrazine
CID 106694459
1-(2,5-dichlorothiophen-3-yl)-N-ethyl-2-(oxan-4-yl)ethanamine
CID 107968196
2-cyclobutyl-N-ethyl-1-(5-ethylfuran-2-yl)ethanamine
CID 115863601
1-(4-chlorophenyl)-N-ethyl-2-(oxolan-3-yl)ethanamine
CID 103987271
N-ethyl-2-(oxan-4-yl)-1-pyrimidin-5-ylethanamine
CID 102923393
1-(2,4-dimethylphenyl)-N-ethyl-2-(oxan-4-yl)ethanamine
CID 115846995
1-(4-bromo-3-fluorophenyl)-N-ethyl-2-(oxan-4-yl)ethanamine
CID 115847063

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorofuran-2-yl)-N-ethyl-2-(oxan-4-yl)ethanamine?
The IUPAC name of 1-(5-chlorofuran-2-yl)-N-ethyl-2-(oxan-4-yl)ethanamine (CID 106691857) is 1-(5-chlorofuran-2-yl)-N-ethyl-2-(oxan-4-yl)ethanamine.
What is the SMILES notation for 1-(5-chlorofuran-2-yl)-N-ethyl-2-(oxan-4-yl)ethanamine?
The canonical SMILES for 1-(5-chlorofuran-2-yl)-N-ethyl-2-(oxan-4-yl)ethanamine is CCNC(CC1CCOCC1)c1ccc(Cl)o1.
What is the InChIKey of 1-(5-chlorofuran-2-yl)-N-ethyl-2-(oxan-4-yl)ethanamine?
The InChIKey is ADDRHXFPXBIXIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNO2/c1-2-15-11(12-3-4-13(14)17-12)9-10-5-7-16-8-6-10/h3-4,10-11,15H,2,5-9H2,1H3.
What are the key properties of 1-(5-chlorofuran-2-yl)-N-ethyl-2-(oxan-4-yl)ethanamine?
1-(5-chlorofuran-2-yl)-N-ethyl-2-(oxan-4-yl)ethanamine has a molecular weight of 257.76 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorofuran-2-yl)-N-ethyl-2-(oxan-4-yl)ethanamine is sourced from PubChem (CID 106691857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).