4-[[2-(diethylamino)-2-phenylethyl]amino]oxolan-3-ol

C16H26N2O2 — CID 60900945

IUPAC4-[[2-(diethylamino)-2-phenylethyl]amino]oxolan-3-ol
SMILESCCN(CC)C(CNC1COCC1O)c1ccccc1
InChIInChI=1S/C16H26N2O2/c1-3-18(4-2)15(13-8-6-5-7-9-13)10-17-14-11-20-12-16(14)19/h5-9,14-17,19H,3-4,10-12H2,1-2H3
InChIKeySAWIAAVWWNYZPO-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.42
Rot. Bonds7

About 4-[[2-(diethylamino)-2-phenylethyl]amino]oxolan-3-ol

4-[[2-(diethylamino)-2-phenylethyl]amino]oxolan-3-ol (PubChem CID 60900945) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 4-[[2-(diethylamino)-2-phenylethyl]amino]oxolan-3-ol.

Molecular Properties

Compound Name4-[[2-(diethylamino)-2-phenylethyl]amino]oxolan-3-ol
PubChem CID60900945
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name4-[[2-(diethylamino)-2-phenylethyl]amino]oxolan-3-ol
SMILESCCN(CC)C(CNC1COCC1O)c1ccccc1
InChIInChI=1S/C16H26N2O2/c1-3-18(4-2)15(13-8-6-5-7-9-13)10-17-14-11-20-12-16(14)19/h5-9,14-17,19H,3-4,10-12H2,1-2H3
InChIKeySAWIAAVWWNYZPO-UHFFFAOYSA-N
XLogP1.42
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(diethylamino)-2-phenylethyl]amino]oxolan-3-ol?
The IUPAC name of 4-[[2-(diethylamino)-2-phenylethyl]amino]oxolan-3-ol (CID 60900945) is 4-[[2-(diethylamino)-2-phenylethyl]amino]oxolan-3-ol.
What is the SMILES notation for 4-[[2-(diethylamino)-2-phenylethyl]amino]oxolan-3-ol?
The canonical SMILES for 4-[[2-(diethylamino)-2-phenylethyl]amino]oxolan-3-ol is CCN(CC)C(CNC1COCC1O)c1ccccc1.
What is the InChIKey of 4-[[2-(diethylamino)-2-phenylethyl]amino]oxolan-3-ol?
The InChIKey is SAWIAAVWWNYZPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-3-18(4-2)15(13-8-6-5-7-9-13)10-17-14-11-20-12-16(14)19/h5-9,14-17,19H,3-4,10-12H2,1-2H3.
What are the key properties of 4-[[2-(diethylamino)-2-phenylethyl]amino]oxolan-3-ol?
4-[[2-(diethylamino)-2-phenylethyl]amino]oxolan-3-ol has a molecular weight of 278.40 g/mol, XLogP of 1.42, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(diethylamino)-2-phenylethyl]amino]oxolan-3-ol is sourced from PubChem (CID 60900945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).