3-[[[3-(2-chlorophenyl)cyclobutyl]amino]methyl]oxolan-3-ol

C15H20ClNO2 — CID 106099993

IUPAC3-[[[3-(2-chlorophenyl)cyclobutyl]amino]methyl]oxolan-3-ol
SMILESOC1(CNC2CC(c3ccccc3Cl)C2)CCOC1
InChIInChI=1S/C15H20ClNO2/c16-14-4-2-1-3-13(14)11-7-12(8-11)17-9-15(18)5-6-19-10-15/h1-4,11-12,17-18H,5-10H2
InChIKeyGQJKQRQNQBZFQY-UHFFFAOYSA-N
MW281.78 g/mol
LogP2.33
Rot. Bonds4

About 3-[[[3-(2-chlorophenyl)cyclobutyl]amino]methyl]oxolan-3-ol

3-[[[3-(2-chlorophenyl)cyclobutyl]amino]methyl]oxolan-3-ol (PubChem CID 106099993) has the molecular formula C15H20ClNO2 and a molecular weight of 281.78 g/mol. Its IUPAC name is 3-[[[3-(2-chlorophenyl)cyclobutyl]amino]methyl]oxolan-3-ol.

Molecular Properties

Compound Name3-[[[3-(2-chlorophenyl)cyclobutyl]amino]methyl]oxolan-3-ol
PubChem CID106099993
Molecular FormulaC15H20ClNO2
Molecular Weight281.78 g/mol
Exact Mass281.12
IUPAC Name3-[[[3-(2-chlorophenyl)cyclobutyl]amino]methyl]oxolan-3-ol
SMILESOC1(CNC2CC(c3ccccc3Cl)C2)CCOC1
InChIInChI=1S/C15H20ClNO2/c16-14-4-2-1-3-13(14)11-7-12(8-11)17-9-15(18)5-6-19-10-15/h1-4,11-12,17-18H,5-10H2
InChIKeyGQJKQRQNQBZFQY-UHFFFAOYSA-N
XLogP2.33
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.78
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[[3-(2-chlorophenyl)cyclobutyl]amino]methyl]oxolan-3-ol?
The IUPAC name of 3-[[[3-(2-chlorophenyl)cyclobutyl]amino]methyl]oxolan-3-ol (CID 106099993) is 3-[[[3-(2-chlorophenyl)cyclobutyl]amino]methyl]oxolan-3-ol.
What is the SMILES notation for 3-[[[3-(2-chlorophenyl)cyclobutyl]amino]methyl]oxolan-3-ol?
The canonical SMILES for 3-[[[3-(2-chlorophenyl)cyclobutyl]amino]methyl]oxolan-3-ol is OC1(CNC2CC(c3ccccc3Cl)C2)CCOC1.
What is the InChIKey of 3-[[[3-(2-chlorophenyl)cyclobutyl]amino]methyl]oxolan-3-ol?
The InChIKey is GQJKQRQNQBZFQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO2/c16-14-4-2-1-3-13(14)11-7-12(8-11)17-9-15(18)5-6-19-10-15/h1-4,11-12,17-18H,5-10H2.
What are the key properties of 3-[[[3-(2-chlorophenyl)cyclobutyl]amino]methyl]oxolan-3-ol?
3-[[[3-(2-chlorophenyl)cyclobutyl]amino]methyl]oxolan-3-ol has a molecular weight of 281.78 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[3-(2-chlorophenyl)cyclobutyl]amino]methyl]oxolan-3-ol is sourced from PubChem (CID 106099993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).