5-[1-[(2,2-dimethyloxan-4-yl)amino]ethyl]benzene-1,3-diol

C15H23NO3 — CID 107707073

IUPAC5-[1-[(2,2-dimethyloxan-4-yl)amino]ethyl]benzene-1,3-diol
SMILESCC(NC1CCOC(C)(C)C1)c1cc(O)cc(O)c1
InChIInChI=1S/C15H23NO3/c1-10(11-6-13(17)8-14(18)7-11)16-12-4-5-19-15(2,3)9-12/h6-8,10,12,16-18H,4-5,9H2,1-3H3
InChIKeyKCXSHJMOFFWTSJ-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.71
Rot. Bonds3

About 5-[1-[(2,2-dimethyloxan-4-yl)amino]ethyl]benzene-1,3-diol

5-[1-[(2,2-dimethyloxan-4-yl)amino]ethyl]benzene-1,3-diol (PubChem CID 107707073) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 5-[1-[(2,2-dimethyloxan-4-yl)amino]ethyl]benzene-1,3-diol.

Molecular Properties

Compound Name5-[1-[(2,2-dimethyloxan-4-yl)amino]ethyl]benzene-1,3-diol
PubChem CID107707073
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name5-[1-[(2,2-dimethyloxan-4-yl)amino]ethyl]benzene-1,3-diol
SMILESCC(NC1CCOC(C)(C)C1)c1cc(O)cc(O)c1
InChIInChI=1S/C15H23NO3/c1-10(11-6-13(17)8-14(18)7-11)16-12-4-5-19-15(2,3)9-12/h6-8,10,12,16-18H,4-5,9H2,1-3H3
InChIKeyKCXSHJMOFFWTSJ-UHFFFAOYSA-N
XLogP2.71
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[1-[(2,2-dimethyloxan-4-yl)amino]ethyl]benzene-1,3-diol?
The IUPAC name of 5-[1-[(2,2-dimethyloxan-4-yl)amino]ethyl]benzene-1,3-diol (CID 107707073) is 5-[1-[(2,2-dimethyloxan-4-yl)amino]ethyl]benzene-1,3-diol.
What is the SMILES notation for 5-[1-[(2,2-dimethyloxan-4-yl)amino]ethyl]benzene-1,3-diol?
The canonical SMILES for 5-[1-[(2,2-dimethyloxan-4-yl)amino]ethyl]benzene-1,3-diol is CC(NC1CCOC(C)(C)C1)c1cc(O)cc(O)c1.
What is the InChIKey of 5-[1-[(2,2-dimethyloxan-4-yl)amino]ethyl]benzene-1,3-diol?
The InChIKey is KCXSHJMOFFWTSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-10(11-6-13(17)8-14(18)7-11)16-12-4-5-19-15(2,3)9-12/h6-8,10,12,16-18H,4-5,9H2,1-3H3.
What are the key properties of 5-[1-[(2,2-dimethyloxan-4-yl)amino]ethyl]benzene-1,3-diol?
5-[1-[(2,2-dimethyloxan-4-yl)amino]ethyl]benzene-1,3-diol has a molecular weight of 265.35 g/mol, XLogP of 2.71, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(2,2-dimethyloxan-4-yl)amino]ethyl]benzene-1,3-diol is sourced from PubChem (CID 107707073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).