2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-1-(furan-2-yl)ethanol

C16H25NO3 — CID 75483267

IUPAC2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-1-(furan-2-yl)ethanol
SMILESCCOC1CC(NCC(O)c2ccco2)C12CCCC2
InChIInChI=1S/C16H25NO3/c1-2-19-15-10-14(16(15)7-3-4-8-16)17-11-12(18)13-6-5-9-20-13/h5-6,9,12,14-15,17-18H,2-4,7-8,10-11H2,1H3
InChIKeyWLDDIBYRQYASLH-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.64
Rot. Bonds6

About 2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-1-(furan-2-yl)ethanol

2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-1-(furan-2-yl)ethanol (PubChem CID 75483267) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is 2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-1-(furan-2-yl)ethanol.

Molecular Properties

Compound Name2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-1-(furan-2-yl)ethanol
PubChem CID75483267
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-1-(furan-2-yl)ethanol
SMILESCCOC1CC(NCC(O)c2ccco2)C12CCCC2
InChIInChI=1S/C16H25NO3/c1-2-19-15-10-14(16(15)7-3-4-8-16)17-11-12(18)13-6-5-9-20-13/h5-6,9,12,14-15,17-18H,2-4,7-8,10-11H2,1H3
InChIKeyWLDDIBYRQYASLH-UHFFFAOYSA-N
XLogP2.64
TPSA54.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-1-(furan-2-yl)ethanol?
The IUPAC name of 2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-1-(furan-2-yl)ethanol (CID 75483267) is 2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-1-(furan-2-yl)ethanol.
What is the SMILES notation for 2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-1-(furan-2-yl)ethanol?
The canonical SMILES for 2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-1-(furan-2-yl)ethanol is CCOC1CC(NCC(O)c2ccco2)C12CCCC2.
What is the InChIKey of 2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-1-(furan-2-yl)ethanol?
The InChIKey is WLDDIBYRQYASLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-2-19-15-10-14(16(15)7-3-4-8-16)17-11-12(18)13-6-5-9-20-13/h5-6,9,12,14-15,17-18H,2-4,7-8,10-11H2,1H3.
What are the key properties of 2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-1-(furan-2-yl)ethanol?
2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-1-(furan-2-yl)ethanol has a molecular weight of 279.38 g/mol, XLogP of 2.64, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-1-(furan-2-yl)ethanol is sourced from PubChem (CID 75483267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).