1-(2-chlorofuran-3-yl)-2-ethoxyethanamine

C8H12ClNO2 — CID 106692544

IUPAC1-(2-chlorofuran-3-yl)-2-ethoxyethanamine
SMILESCCOCC(N)c1ccoc1Cl
InChIInChI=1S/C8H12ClNO2/c1-2-11-5-7(10)6-3-4-12-8(6)9/h3-4,7H,2,5,10H2,1H3
InChIKeyVSPYVSLZTKTPGW-UHFFFAOYSA-N
MW189.64 g/mol
LogP1.97
Rot. Bonds4

About 1-(2-chlorofuran-3-yl)-2-ethoxyethanamine

1-(2-chlorofuran-3-yl)-2-ethoxyethanamine (PubChem CID 106692544) has the molecular formula C8H12ClNO2 and a molecular weight of 189.64 g/mol. Its IUPAC name is 1-(2-chlorofuran-3-yl)-2-ethoxyethanamine.

Molecular Properties

Compound Name1-(2-chlorofuran-3-yl)-2-ethoxyethanamine
PubChem CID106692544
Molecular FormulaC8H12ClNO2
Molecular Weight189.64 g/mol
Exact Mass189.06
IUPAC Name1-(2-chlorofuran-3-yl)-2-ethoxyethanamine
SMILESCCOCC(N)c1ccoc1Cl
InChIInChI=1S/C8H12ClNO2/c1-2-11-5-7(10)6-3-4-12-8(6)9/h3-4,7H,2,5,10H2,1H3
InChIKeyVSPYVSLZTKTPGW-UHFFFAOYSA-N
XLogP1.97
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.64
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chlorofuran-3-yl)-2-ethylbutan-1-amine
CID 106692648
(3S)-3-amino-3-(2-chlorofuran-3-yl)propanenitrile
CID 130713756
1-(2-bromo-4-chlorophenyl)-2-ethoxyethanamine
CID 107994199
1-(2-chlorofuran-3-yl)-2-methylbutan-1-ol
CID 106693915
2-(4-tert-butylphenyl)-1-(2-chlorofuran-3-yl)ethanamine
CID 106691777
1-(3-bromo-2-chlorophenyl)-2-ethoxyethanamine
CID 105007829
1-(2-chlorofuran-3-yl)-2-(2-fluorophenyl)ethanamine
CID 106687760
1-(2-chlorofuran-3-yl)hex-5-yn-1-amine
CID 106692996
2-ethoxy-1-(2-propoxyphenyl)ethanamine
CID 104660329
2-ethoxy-1-[5-(3-methylfuran-2-yl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 104633859
1-(2-fluorofuran-3-yl)propan-1-amine
CID 130001873
(1S)-1-(2-ethylfuran-3-yl)propan-1-amine
CID 55291890

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorofuran-3-yl)-2-ethoxyethanamine?
The IUPAC name of 1-(2-chlorofuran-3-yl)-2-ethoxyethanamine (CID 106692544) is 1-(2-chlorofuran-3-yl)-2-ethoxyethanamine.
What is the SMILES notation for 1-(2-chlorofuran-3-yl)-2-ethoxyethanamine?
The canonical SMILES for 1-(2-chlorofuran-3-yl)-2-ethoxyethanamine is CCOCC(N)c1ccoc1Cl.
What is the InChIKey of 1-(2-chlorofuran-3-yl)-2-ethoxyethanamine?
The InChIKey is VSPYVSLZTKTPGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClNO2/c1-2-11-5-7(10)6-3-4-12-8(6)9/h3-4,7H,2,5,10H2,1H3.
What are the key properties of 1-(2-chlorofuran-3-yl)-2-ethoxyethanamine?
1-(2-chlorofuran-3-yl)-2-ethoxyethanamine has a molecular weight of 189.64 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorofuran-3-yl)-2-ethoxyethanamine is sourced from PubChem (CID 106692544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).