3-[[1-(2-hydroxyphenyl)ethylamino]methyl]oxolan-3-ol

C13H19NO3 — CID 113383834

IUPAC3-[[1-(2-hydroxyphenyl)ethylamino]methyl]oxolan-3-ol
SMILESCC(NCC1(O)CCOC1)c1ccccc1O
InChIInChI=1S/C13H19NO3/c1-10(11-4-2-3-5-12(11)15)14-8-13(16)6-7-17-9-13/h2-5,10,14-16H,6-9H2,1H3
InChIKeyJOQGPRGPCPOCSW-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.19
Rot. Bonds4

About 3-[[1-(2-hydroxyphenyl)ethylamino]methyl]oxolan-3-ol

3-[[1-(2-hydroxyphenyl)ethylamino]methyl]oxolan-3-ol (PubChem CID 113383834) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 3-[[1-(2-hydroxyphenyl)ethylamino]methyl]oxolan-3-ol.

Molecular Properties

Compound Name3-[[1-(2-hydroxyphenyl)ethylamino]methyl]oxolan-3-ol
PubChem CID113383834
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name3-[[1-(2-hydroxyphenyl)ethylamino]methyl]oxolan-3-ol
SMILESCC(NCC1(O)CCOC1)c1ccccc1O
InChIInChI=1S/C13H19NO3/c1-10(11-4-2-3-5-12(11)15)14-8-13(16)6-7-17-9-13/h2-5,10,14-16H,6-9H2,1H3
InChIKeyJOQGPRGPCPOCSW-UHFFFAOYSA-N
XLogP1.19
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

3-[[1-(1-hydroxynaphthalen-2-yl)ethylamino]methyl]oxolan-3-ol
CID 104583576
2-[(1S)-1-[[1-[[[(1S)-1-(2-hydroxyphenyl)ethyl]amino]methyl]cyclopropyl]methylamino]ethyl]phenol
CID 71049425
3-[[1-(4-chlorophenyl)ethylamino]methyl]oxolan-3-ol
CID 103904766
(3S)-3-[[[(1R)-2-methyl-1-phenylpropyl]amino]methyl]oxolan-3-ol
CID 97116089
3-[[1-(3-methylphenyl)ethylamino]methyl]oxolan-3-ol
CID 103904871
(3S)-3-[[[(1R)-1-(3-fluorophenyl)ethyl]amino]methyl]oxolan-3-ol
CID 97108282
(3S)-3-[[[(1S)-1-(5-ethylfuran-2-yl)ethyl]amino]methyl]oxolan-3-ol
CID 97108238
3-[(1-thiophen-3-ylethylamino)methyl]oxolan-3-ol
CID 115896443
3-[[1-(2-methoxyphenyl)propylamino]methyl]oxolan-3-ol
CID 103904872
3-[[1-(5-ethylthiophen-2-yl)ethylamino]methyl]oxolan-3-ol
CID 103904866
2-[1-[(1-hydroxy-3-methylcyclohexyl)methylamino]ethyl]phenol
CID 65116717
3-[[1-(1-phenylpyrazol-4-yl)ethylamino]methyl]oxolan-3-ol
CID 103904875

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(2-hydroxyphenyl)ethylamino]methyl]oxolan-3-ol?
The IUPAC name of 3-[[1-(2-hydroxyphenyl)ethylamino]methyl]oxolan-3-ol (CID 113383834) is 3-[[1-(2-hydroxyphenyl)ethylamino]methyl]oxolan-3-ol.
What is the SMILES notation for 3-[[1-(2-hydroxyphenyl)ethylamino]methyl]oxolan-3-ol?
The canonical SMILES for 3-[[1-(2-hydroxyphenyl)ethylamino]methyl]oxolan-3-ol is CC(NCC1(O)CCOC1)c1ccccc1O.
What is the InChIKey of 3-[[1-(2-hydroxyphenyl)ethylamino]methyl]oxolan-3-ol?
The InChIKey is JOQGPRGPCPOCSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-10(11-4-2-3-5-12(11)15)14-8-13(16)6-7-17-9-13/h2-5,10,14-16H,6-9H2,1H3.
What are the key properties of 3-[[1-(2-hydroxyphenyl)ethylamino]methyl]oxolan-3-ol?
3-[[1-(2-hydroxyphenyl)ethylamino]methyl]oxolan-3-ol has a molecular weight of 237.30 g/mol, XLogP of 1.19, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(2-hydroxyphenyl)ethylamino]methyl]oxolan-3-ol is sourced from PubChem (CID 113383834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).