1-(2-ethoxyethoxy)-3-[1-(furan-2-yl)ethylamino]propan-2-ol

C13H23NO4 — CID 54938711

IUPAC1-(2-ethoxyethoxy)-3-[1-(furan-2-yl)ethylamino]propan-2-ol
SMILESCCOCCOCC(O)CNC(C)c1ccco1
InChIInChI=1S/C13H23NO4/c1-3-16-7-8-17-10-12(15)9-14-11(2)13-5-4-6-18-13/h4-6,11-12,14-15H,3,7-10H2,1-2H3
InChIKeyBHQKPKDOFKPOQJ-UHFFFAOYSA-N
MW257.33 g/mol
LogP1.34
Rot. Bonds10

About 1-(2-ethoxyethoxy)-3-[1-(furan-2-yl)ethylamino]propan-2-ol

1-(2-ethoxyethoxy)-3-[1-(furan-2-yl)ethylamino]propan-2-ol (PubChem CID 54938711) has the molecular formula C13H23NO4 and a molecular weight of 257.33 g/mol. Its IUPAC name is 1-(2-ethoxyethoxy)-3-[1-(furan-2-yl)ethylamino]propan-2-ol.

Molecular Properties

Compound Name1-(2-ethoxyethoxy)-3-[1-(furan-2-yl)ethylamino]propan-2-ol
PubChem CID54938711
Molecular FormulaC13H23NO4
Molecular Weight257.33 g/mol
Exact Mass257.16
IUPAC Name1-(2-ethoxyethoxy)-3-[1-(furan-2-yl)ethylamino]propan-2-ol
SMILESCCOCCOCC(O)CNC(C)c1ccco1
InChIInChI=1S/C13H23NO4/c1-3-16-7-8-17-10-12(15)9-14-11(2)13-5-4-6-18-13/h4-6,11-12,14-15H,3,7-10H2,1-2H3
InChIKeyBHQKPKDOFKPOQJ-UHFFFAOYSA-N
XLogP1.34
TPSA63.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(1S)-N-(2-ethoxyethyl)-1-(furan-2-yl)ethanamine
CID 81399975
ethyl 4-[1-(furan-2-yl)ethylamino]-3-hydroxybutanoate
CID 103238482
1-[1-(furan-2-yl)ethylamino]-3-(1-phenylethoxy)propan-2-ol
CID 60910178
1-(2-ethoxyethoxy)-3-[[(1S)-1-(4-fluorophenyl)ethyl]amino]propan-2-ol
CID 81348053
1-[1-(furan-2-yl)ethylamino]-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 54938663
1-[1-(3-bromophenyl)ethylamino]-3-(2-ethoxyethoxy)propan-2-ol
CID 60746287
2,2-diethoxy-N-[(1S)-1-(furan-2-yl)ethyl]ethanamine
CID 81400852
1-(2,4-dimethylphenoxy)-3-[[(1R)-1-(furan-2-yl)ethyl]amino]propan-2-ol
CID 81392115
1-[1-(furan-2-yl)ethylamino]-3-(3-methoxyphenoxy)propan-2-ol
CID 60909460
1-(3-bromophenoxy)-3-[[(1S)-1-(furan-2-yl)ethyl]amino]propan-2-ol
CID 81399740
1-ethoxy-3-[[(1R)-1-phenylethyl]amino]propan-2-ol
CID 78954638
1-[1-(2,4-dichlorophenyl)ethylamino]-3-(2-ethoxyethoxy)propan-2-ol
CID 60632117

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyethoxy)-3-[1-(furan-2-yl)ethylamino]propan-2-ol?
The IUPAC name of 1-(2-ethoxyethoxy)-3-[1-(furan-2-yl)ethylamino]propan-2-ol (CID 54938711) is 1-(2-ethoxyethoxy)-3-[1-(furan-2-yl)ethylamino]propan-2-ol.
What is the SMILES notation for 1-(2-ethoxyethoxy)-3-[1-(furan-2-yl)ethylamino]propan-2-ol?
The canonical SMILES for 1-(2-ethoxyethoxy)-3-[1-(furan-2-yl)ethylamino]propan-2-ol is CCOCCOCC(O)CNC(C)c1ccco1.
What is the InChIKey of 1-(2-ethoxyethoxy)-3-[1-(furan-2-yl)ethylamino]propan-2-ol?
The InChIKey is BHQKPKDOFKPOQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO4/c1-3-16-7-8-17-10-12(15)9-14-11(2)13-5-4-6-18-13/h4-6,11-12,14-15H,3,7-10H2,1-2H3.
What are the key properties of 1-(2-ethoxyethoxy)-3-[1-(furan-2-yl)ethylamino]propan-2-ol?
1-(2-ethoxyethoxy)-3-[1-(furan-2-yl)ethylamino]propan-2-ol has a molecular weight of 257.33 g/mol, XLogP of 1.34, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyethoxy)-3-[1-(furan-2-yl)ethylamino]propan-2-ol is sourced from PubChem (CID 54938711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).