1-[[3-(2-fluorophenyl)cyclobutyl]amino]-2-methylbutan-2-ol

C15H22FNO — CID 65107731

IUPAC1-[[3-(2-fluorophenyl)cyclobutyl]amino]-2-methylbutan-2-ol
SMILESCCC(C)(O)CNC1CC(c2ccccc2F)C1
InChIInChI=1S/C15H22FNO/c1-3-15(2,18)10-17-12-8-11(9-12)13-6-4-5-7-14(13)16/h4-7,11-12,17-18H,3,8-10H2,1-2H3
InChIKeyLQUZRHFWPKHFHM-UHFFFAOYSA-N
MW251.34 g/mol
LogP2.82
Rot. Bonds5

About 1-[[3-(2-fluorophenyl)cyclobutyl]amino]-2-methylbutan-2-ol

1-[[3-(2-fluorophenyl)cyclobutyl]amino]-2-methylbutan-2-ol (PubChem CID 65107731) has the molecular formula C15H22FNO and a molecular weight of 251.34 g/mol. Its IUPAC name is 1-[[3-(2-fluorophenyl)cyclobutyl]amino]-2-methylbutan-2-ol.

Molecular Properties

Compound Name1-[[3-(2-fluorophenyl)cyclobutyl]amino]-2-methylbutan-2-ol
PubChem CID65107731
Molecular FormulaC15H22FNO
Molecular Weight251.34 g/mol
Exact Mass251.17
IUPAC Name1-[[3-(2-fluorophenyl)cyclobutyl]amino]-2-methylbutan-2-ol
SMILESCCC(C)(O)CNC1CC(c2ccccc2F)C1
InChIInChI=1S/C15H22FNO/c1-3-15(2,18)10-17-12-8-11(9-12)13-6-4-5-7-14(13)16/h4-7,11-12,17-18H,3,8-10H2,1-2H3
InChIKeyLQUZRHFWPKHFHM-UHFFFAOYSA-N
XLogP2.82
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[[3-(2-fluorophenyl)cyclobutyl]amino]-2-methylbutan-2-ol?
The IUPAC name of 1-[[3-(2-fluorophenyl)cyclobutyl]amino]-2-methylbutan-2-ol (CID 65107731) is 1-[[3-(2-fluorophenyl)cyclobutyl]amino]-2-methylbutan-2-ol.
What is the SMILES notation for 1-[[3-(2-fluorophenyl)cyclobutyl]amino]-2-methylbutan-2-ol?
The canonical SMILES for 1-[[3-(2-fluorophenyl)cyclobutyl]amino]-2-methylbutan-2-ol is CCC(C)(O)CNC1CC(c2ccccc2F)C1.
What is the InChIKey of 1-[[3-(2-fluorophenyl)cyclobutyl]amino]-2-methylbutan-2-ol?
The InChIKey is LQUZRHFWPKHFHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO/c1-3-15(2,18)10-17-12-8-11(9-12)13-6-4-5-7-14(13)16/h4-7,11-12,17-18H,3,8-10H2,1-2H3.
What are the key properties of 1-[[3-(2-fluorophenyl)cyclobutyl]amino]-2-methylbutan-2-ol?
1-[[3-(2-fluorophenyl)cyclobutyl]amino]-2-methylbutan-2-ol has a molecular weight of 251.34 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(2-fluorophenyl)cyclobutyl]amino]-2-methylbutan-2-ol is sourced from PubChem (CID 65107731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).