1-[4-(oxan-4-yl)phenyl]cyclobutan-1-amine

C15H21NO — CID 117334927

IUPAC1-[4-(oxan-4-yl)phenyl]cyclobutan-1-amine
SMILESNC1(c2ccc(C3CCOCC3)cc2)CCC1
InChIInChI=1S/C15H21NO/c16-15(8-1-9-15)14-4-2-12(3-5-14)13-6-10-17-11-7-13/h2-5,13H,1,6-11,16H2
InChIKeyRRQXYZKHIRCXIF-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.92
Rot. Bonds2

About 1-[4-(oxan-4-yl)phenyl]cyclobutan-1-amine

1-[4-(oxan-4-yl)phenyl]cyclobutan-1-amine (PubChem CID 117334927) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 1-[4-(oxan-4-yl)phenyl]cyclobutan-1-amine.

Molecular Properties

Compound Name1-[4-(oxan-4-yl)phenyl]cyclobutan-1-amine
PubChem CID117334927
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name1-[4-(oxan-4-yl)phenyl]cyclobutan-1-amine
SMILESNC1(c2ccc(C3CCOCC3)cc2)CCC1
InChIInChI=1S/C15H21NO/c16-15(8-1-9-15)14-4-2-12(3-5-14)13-6-10-17-11-7-13/h2-5,13H,1,6-11,16H2
InChIKeyRRQXYZKHIRCXIF-UHFFFAOYSA-N
XLogP2.92
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(oxan-4-yl)phenyl]cyclobutan-1-amine?
The IUPAC name of 1-[4-(oxan-4-yl)phenyl]cyclobutan-1-amine (CID 117334927) is 1-[4-(oxan-4-yl)phenyl]cyclobutan-1-amine.
What is the SMILES notation for 1-[4-(oxan-4-yl)phenyl]cyclobutan-1-amine?
The canonical SMILES for 1-[4-(oxan-4-yl)phenyl]cyclobutan-1-amine is NC1(c2ccc(C3CCOCC3)cc2)CCC1.
What is the InChIKey of 1-[4-(oxan-4-yl)phenyl]cyclobutan-1-amine?
The InChIKey is RRQXYZKHIRCXIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c16-15(8-1-9-15)14-4-2-12(3-5-14)13-6-10-17-11-7-13/h2-5,13H,1,6-11,16H2.
What are the key properties of 1-[4-(oxan-4-yl)phenyl]cyclobutan-1-amine?
1-[4-(oxan-4-yl)phenyl]cyclobutan-1-amine has a molecular weight of 231.34 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(oxan-4-yl)phenyl]cyclobutan-1-amine is sourced from PubChem (CID 117334927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).