1-[3-(cyclobutylmethoxy)-5-fluorophenyl]-2-methylpropan-2-amine

C15H22FNO — CID 117382059

IUPAC1-[3-(cyclobutylmethoxy)-5-fluorophenyl]-2-methylpropan-2-amine
SMILESCC(C)(N)Cc1cc(F)cc(OCC2CCC2)c1
InChIInChI=1S/C15H22FNO/c1-15(2,17)9-12-6-13(16)8-14(7-12)18-10-11-4-3-5-11/h6-8,11H,3-5,9-10,17H2,1-2H3
InChIKeyUOIZZZXORKLTQB-UHFFFAOYSA-N
MW251.34 g/mol
LogP3.28
Rot. Bonds5

About 1-[3-(cyclobutylmethoxy)-5-fluorophenyl]-2-methylpropan-2-amine

1-[3-(cyclobutylmethoxy)-5-fluorophenyl]-2-methylpropan-2-amine (PubChem CID 117382059) has the molecular formula C15H22FNO and a molecular weight of 251.34 g/mol. Its IUPAC name is 1-[3-(cyclobutylmethoxy)-5-fluorophenyl]-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-[3-(cyclobutylmethoxy)-5-fluorophenyl]-2-methylpropan-2-amine
PubChem CID117382059
Molecular FormulaC15H22FNO
Molecular Weight251.34 g/mol
Exact Mass251.17
IUPAC Name1-[3-(cyclobutylmethoxy)-5-fluorophenyl]-2-methylpropan-2-amine
SMILESCC(C)(N)Cc1cc(F)cc(OCC2CCC2)c1
InChIInChI=1S/C15H22FNO/c1-15(2,17)9-12-6-13(16)8-14(7-12)18-10-11-4-3-5-11/h6-8,11H,3-5,9-10,17H2,1-2H3
InChIKeyUOIZZZXORKLTQB-UHFFFAOYSA-N
XLogP3.28
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(cyclobutylmethoxy)-5-fluorophenyl]-2-methylpropan-2-amine?
The IUPAC name of 1-[3-(cyclobutylmethoxy)-5-fluorophenyl]-2-methylpropan-2-amine (CID 117382059) is 1-[3-(cyclobutylmethoxy)-5-fluorophenyl]-2-methylpropan-2-amine.
What is the SMILES notation for 1-[3-(cyclobutylmethoxy)-5-fluorophenyl]-2-methylpropan-2-amine?
The canonical SMILES for 1-[3-(cyclobutylmethoxy)-5-fluorophenyl]-2-methylpropan-2-amine is CC(C)(N)Cc1cc(F)cc(OCC2CCC2)c1.
What is the InChIKey of 1-[3-(cyclobutylmethoxy)-5-fluorophenyl]-2-methylpropan-2-amine?
The InChIKey is UOIZZZXORKLTQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO/c1-15(2,17)9-12-6-13(16)8-14(7-12)18-10-11-4-3-5-11/h6-8,11H,3-5,9-10,17H2,1-2H3.
What are the key properties of 1-[3-(cyclobutylmethoxy)-5-fluorophenyl]-2-methylpropan-2-amine?
1-[3-(cyclobutylmethoxy)-5-fluorophenyl]-2-methylpropan-2-amine has a molecular weight of 251.34 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(cyclobutylmethoxy)-5-fluorophenyl]-2-methylpropan-2-amine is sourced from PubChem (CID 117382059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).