1-(5-methyl-2-morpholin-4-ylphenyl)cyclobutan-1-amine

C15H22N2O — CID 117368710

IUPAC1-(5-methyl-2-morpholin-4-ylphenyl)cyclobutan-1-amine
SMILESCc1ccc(N2CCOCC2)c(C2(N)CCC2)c1
InChIInChI=1S/C15H22N2O/c1-12-3-4-14(17-7-9-18-10-8-17)13(11-12)15(16)5-2-6-15/h3-4,11H,2,5-10,16H2,1H3
InChIKeyFGHJYWIJZYXNCU-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.17
Rot. Bonds2

About 1-(5-methyl-2-morpholin-4-ylphenyl)cyclobutan-1-amine

1-(5-methyl-2-morpholin-4-ylphenyl)cyclobutan-1-amine (PubChem CID 117368710) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 1-(5-methyl-2-morpholin-4-ylphenyl)cyclobutan-1-amine.

Molecular Properties

Compound Name1-(5-methyl-2-morpholin-4-ylphenyl)cyclobutan-1-amine
PubChem CID117368710
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name1-(5-methyl-2-morpholin-4-ylphenyl)cyclobutan-1-amine
SMILESCc1ccc(N2CCOCC2)c(C2(N)CCC2)c1
InChIInChI=1S/C15H22N2O/c1-12-3-4-14(17-7-9-18-10-8-17)13(11-12)15(16)5-2-6-15/h3-4,11H,2,5-10,16H2,1H3
InChIKeyFGHJYWIJZYXNCU-UHFFFAOYSA-N
XLogP2.17
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-2-morpholin-4-ylphenyl)cyclobutan-1-amine?
The IUPAC name of 1-(5-methyl-2-morpholin-4-ylphenyl)cyclobutan-1-amine (CID 117368710) is 1-(5-methyl-2-morpholin-4-ylphenyl)cyclobutan-1-amine.
What is the SMILES notation for 1-(5-methyl-2-morpholin-4-ylphenyl)cyclobutan-1-amine?
The canonical SMILES for 1-(5-methyl-2-morpholin-4-ylphenyl)cyclobutan-1-amine is Cc1ccc(N2CCOCC2)c(C2(N)CCC2)c1.
What is the InChIKey of 1-(5-methyl-2-morpholin-4-ylphenyl)cyclobutan-1-amine?
The InChIKey is FGHJYWIJZYXNCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-12-3-4-14(17-7-9-18-10-8-17)13(11-12)15(16)5-2-6-15/h3-4,11H,2,5-10,16H2,1H3.
What are the key properties of 1-(5-methyl-2-morpholin-4-ylphenyl)cyclobutan-1-amine?
1-(5-methyl-2-morpholin-4-ylphenyl)cyclobutan-1-amine has a molecular weight of 246.35 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-2-morpholin-4-ylphenyl)cyclobutan-1-amine is sourced from PubChem (CID 117368710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).