4-[[3-(3-fluorophenyl)cyclobutyl]amino]-3-methylbutan-1-ol

C15H22FNO — CID 66091349

IUPAC4-[[3-(3-fluorophenyl)cyclobutyl]amino]-3-methylbutan-1-ol
SMILESCC(CCO)CNC1CC(c2cccc(F)c2)C1
InChIInChI=1S/C15H22FNO/c1-11(5-6-18)10-17-15-8-13(9-15)12-3-2-4-14(16)7-12/h2-4,7,11,13,15,17-18H,5-6,8-10H2,1H3
InChIKeyDTDLMAMSXYFIPU-UHFFFAOYSA-N
MW251.34 g/mol
LogP2.68
Rot. Bonds6

About 4-[[3-(3-fluorophenyl)cyclobutyl]amino]-3-methylbutan-1-ol

4-[[3-(3-fluorophenyl)cyclobutyl]amino]-3-methylbutan-1-ol (PubChem CID 66091349) has the molecular formula C15H22FNO and a molecular weight of 251.34 g/mol. Its IUPAC name is 4-[[3-(3-fluorophenyl)cyclobutyl]amino]-3-methylbutan-1-ol.

Molecular Properties

Compound Name4-[[3-(3-fluorophenyl)cyclobutyl]amino]-3-methylbutan-1-ol
PubChem CID66091349
Molecular FormulaC15H22FNO
Molecular Weight251.34 g/mol
Exact Mass251.17
IUPAC Name4-[[3-(3-fluorophenyl)cyclobutyl]amino]-3-methylbutan-1-ol
SMILESCC(CCO)CNC1CC(c2cccc(F)c2)C1
InChIInChI=1S/C15H22FNO/c1-11(5-6-18)10-17-15-8-13(9-15)12-3-2-4-14(16)7-12/h2-4,7,11,13,15,17-18H,5-6,8-10H2,1H3
InChIKeyDTDLMAMSXYFIPU-UHFFFAOYSA-N
XLogP2.68
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-(3-fluorophenyl)cyclobutyl]amino]-3-methylbutan-1-ol?
The IUPAC name of 4-[[3-(3-fluorophenyl)cyclobutyl]amino]-3-methylbutan-1-ol (CID 66091349) is 4-[[3-(3-fluorophenyl)cyclobutyl]amino]-3-methylbutan-1-ol.
What is the SMILES notation for 4-[[3-(3-fluorophenyl)cyclobutyl]amino]-3-methylbutan-1-ol?
The canonical SMILES for 4-[[3-(3-fluorophenyl)cyclobutyl]amino]-3-methylbutan-1-ol is CC(CCO)CNC1CC(c2cccc(F)c2)C1.
What is the InChIKey of 4-[[3-(3-fluorophenyl)cyclobutyl]amino]-3-methylbutan-1-ol?
The InChIKey is DTDLMAMSXYFIPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO/c1-11(5-6-18)10-17-15-8-13(9-15)12-3-2-4-14(16)7-12/h2-4,7,11,13,15,17-18H,5-6,8-10H2,1H3.
What are the key properties of 4-[[3-(3-fluorophenyl)cyclobutyl]amino]-3-methylbutan-1-ol?
4-[[3-(3-fluorophenyl)cyclobutyl]amino]-3-methylbutan-1-ol has a molecular weight of 251.34 g/mol, XLogP of 2.68, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(3-fluorophenyl)cyclobutyl]amino]-3-methylbutan-1-ol is sourced from PubChem (CID 66091349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).