2-[4-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]phenyl]ethanol

C16H25NO2 — CID 64850757

IUPAC2-[4-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]phenyl]ethanol
SMILESCCOC1CC(Nc2ccc(CCO)cc2)C1(C)C
InChIInChI=1S/C16H25NO2/c1-4-19-15-11-14(16(15,2)3)17-13-7-5-12(6-8-13)9-10-18/h5-8,14-15,17-18H,4,9-11H2,1-3H3
InChIKeyWLYXAXYQTUWMPW-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.84
Rot. Bonds6

About 2-[4-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]phenyl]ethanol

2-[4-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]phenyl]ethanol (PubChem CID 64850757) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-[4-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]phenyl]ethanol.

Molecular Properties

Compound Name2-[4-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]phenyl]ethanol
PubChem CID64850757
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name2-[4-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]phenyl]ethanol
SMILESCCOC1CC(Nc2ccc(CCO)cc2)C1(C)C
InChIInChI=1S/C16H25NO2/c1-4-19-15-11-14(16(15,2)3)17-13-7-5-12(6-8-13)9-10-18/h5-8,14-15,17-18H,4,9-11H2,1-3H3
InChIKeyWLYXAXYQTUWMPW-UHFFFAOYSA-N
XLogP2.84
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]phenyl]ethanol?
The IUPAC name of 2-[4-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]phenyl]ethanol (CID 64850757) is 2-[4-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]phenyl]ethanol.
What is the SMILES notation for 2-[4-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]phenyl]ethanol?
The canonical SMILES for 2-[4-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]phenyl]ethanol is CCOC1CC(Nc2ccc(CCO)cc2)C1(C)C.
What is the InChIKey of 2-[4-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]phenyl]ethanol?
The InChIKey is WLYXAXYQTUWMPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-4-19-15-11-14(16(15,2)3)17-13-7-5-12(6-8-13)9-10-18/h5-8,14-15,17-18H,4,9-11H2,1-3H3.
What are the key properties of 2-[4-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]phenyl]ethanol?
2-[4-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]phenyl]ethanol has a molecular weight of 263.38 g/mol, XLogP of 2.84, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]phenyl]ethanol is sourced from PubChem (CID 64850757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).