4-[[3-(2-fluorophenyl)cyclobutyl]amino]butan-2-ol

C14H20FNO — CID 64910903

IUPAC4-[[3-(2-fluorophenyl)cyclobutyl]amino]butan-2-ol
SMILESCC(O)CCNC1CC(c2ccccc2F)C1
InChIInChI=1S/C14H20FNO/c1-10(17)6-7-16-12-8-11(9-12)13-4-2-3-5-14(13)15/h2-5,10-12,16-17H,6-9H2,1H3
InChIKeyMYJAZYFNWSBOTQ-UHFFFAOYSA-N
MW237.32 g/mol
LogP2.43
Rot. Bonds5

About 4-[[3-(2-fluorophenyl)cyclobutyl]amino]butan-2-ol

4-[[3-(2-fluorophenyl)cyclobutyl]amino]butan-2-ol (PubChem CID 64910903) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is 4-[[3-(2-fluorophenyl)cyclobutyl]amino]butan-2-ol.

Molecular Properties

Compound Name4-[[3-(2-fluorophenyl)cyclobutyl]amino]butan-2-ol
PubChem CID64910903
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC Name4-[[3-(2-fluorophenyl)cyclobutyl]amino]butan-2-ol
SMILESCC(O)CCNC1CC(c2ccccc2F)C1
InChIInChI=1S/C14H20FNO/c1-10(17)6-7-16-12-8-11(9-12)13-4-2-3-5-14(13)15/h2-5,10-12,16-17H,6-9H2,1H3
InChIKeyMYJAZYFNWSBOTQ-UHFFFAOYSA-N
XLogP2.43
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-(2-fluorophenyl)cyclobutyl]amino]butan-2-ol?
The IUPAC name of 4-[[3-(2-fluorophenyl)cyclobutyl]amino]butan-2-ol (CID 64910903) is 4-[[3-(2-fluorophenyl)cyclobutyl]amino]butan-2-ol.
What is the SMILES notation for 4-[[3-(2-fluorophenyl)cyclobutyl]amino]butan-2-ol?
The canonical SMILES for 4-[[3-(2-fluorophenyl)cyclobutyl]amino]butan-2-ol is CC(O)CCNC1CC(c2ccccc2F)C1.
What is the InChIKey of 4-[[3-(2-fluorophenyl)cyclobutyl]amino]butan-2-ol?
The InChIKey is MYJAZYFNWSBOTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c1-10(17)6-7-16-12-8-11(9-12)13-4-2-3-5-14(13)15/h2-5,10-12,16-17H,6-9H2,1H3.
What are the key properties of 4-[[3-(2-fluorophenyl)cyclobutyl]amino]butan-2-ol?
4-[[3-(2-fluorophenyl)cyclobutyl]amino]butan-2-ol has a molecular weight of 237.32 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(2-fluorophenyl)cyclobutyl]amino]butan-2-ol is sourced from PubChem (CID 64910903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).