cyclobutyl-(3,3-dimethyl-2H-1-benzofuran-5-yl)methanamine

C15H21NO — CID 107293439

IUPACcyclobutyl-(3,3-dimethyl-2H-1-benzofuran-5-yl)methanamine
SMILESCC1(C)COc2ccc(C(N)C3CCC3)cc21
InChIInChI=1S/C15H21NO/c1-15(2)9-17-13-7-6-11(8-12(13)15)14(16)10-4-3-5-10/h6-8,10,14H,3-5,9,16H2,1-2H3
InChIKeyOMVVJRSYRNYDFS-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.16
Rot. Bonds2

About cyclobutyl-(3,3-dimethyl-2H-1-benzofuran-5-yl)methanamine

cyclobutyl-(3,3-dimethyl-2H-1-benzofuran-5-yl)methanamine (PubChem CID 107293439) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is cyclobutyl-(3,3-dimethyl-2H-1-benzofuran-5-yl)methanamine.

Molecular Properties

Compound Namecyclobutyl-(3,3-dimethyl-2H-1-benzofuran-5-yl)methanamine
PubChem CID107293439
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Namecyclobutyl-(3,3-dimethyl-2H-1-benzofuran-5-yl)methanamine
SMILESCC1(C)COc2ccc(C(N)C3CCC3)cc21
InChIInChI=1S/C15H21NO/c1-15(2)9-17-13-7-6-11(8-12(13)15)14(16)10-4-3-5-10/h6-8,10,14H,3-5,9,16H2,1-2H3
InChIKeyOMVVJRSYRNYDFS-UHFFFAOYSA-N
XLogP3.16
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 ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cycloheptyl-(3,3-dimethyl-2H-1-benzofuran-5-yl)methanol
CID 107294029
(3,3-dimethyl-2H-1-benzofuran-5-yl)-(oxan-3-yl)methanol
CID 107294006
7-bicyclo[4.1.0]heptanyl-(3,3-dimethyl-2H-1-benzofuran-5-yl)methanol
CID 107294132
1-(3,3-dimethyl-2H-1-benzofuran-5-yl)propan-1-amine
CID 107293478
5-(1-chloro-2-cycloheptylethyl)-3,3-dimethyl-2H-1-benzofuran
CID 107294337
N-[cyclohexyl-(3,3-dimethyl-2H-1-benzofuran-5-yl)methyl]ethanamine
CID 107293750
2-cycloheptyl-1-(3,3-dimethyl-2H-1-benzofuran-5-yl)ethanol
CID 107294159
(3,3-dimethyl-2H-1-benzofuran-5-yl)-(4-methylsulfanylphenyl)methanamine
CID 107293403
1-(3,3-dimethyl-2H-1-benzofuran-5-yl)hexan-1-amine
CID 107293547
(3,3-dimethyl-2H-1-benzofuran-5-yl)-(5-methylfuran-3-yl)methanamine
CID 107293503
(5-chlorofuran-2-yl)-(3,3-dimethyl-2H-1-benzofuran-5-yl)methanamine
CID 107293504
5-[chloro(oxolan-3-yl)methyl]-3,3-dimethyl-2H-1-benzofuran
CID 107294309

Frequently Asked Questions

What is the IUPAC name of cyclobutyl-(3,3-dimethyl-2H-1-benzofuran-5-yl)methanamine?
The IUPAC name of cyclobutyl-(3,3-dimethyl-2H-1-benzofuran-5-yl)methanamine (CID 107293439) is cyclobutyl-(3,3-dimethyl-2H-1-benzofuran-5-yl)methanamine.
What is the SMILES notation for cyclobutyl-(3,3-dimethyl-2H-1-benzofuran-5-yl)methanamine?
The canonical SMILES for cyclobutyl-(3,3-dimethyl-2H-1-benzofuran-5-yl)methanamine is CC1(C)COc2ccc(C(N)C3CCC3)cc21.
What is the InChIKey of cyclobutyl-(3,3-dimethyl-2H-1-benzofuran-5-yl)methanamine?
The InChIKey is OMVVJRSYRNYDFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-15(2)9-17-13-7-6-11(8-12(13)15)14(16)10-4-3-5-10/h6-8,10,14H,3-5,9,16H2,1-2H3.
What are the key properties of cyclobutyl-(3,3-dimethyl-2H-1-benzofuran-5-yl)methanamine?
cyclobutyl-(3,3-dimethyl-2H-1-benzofuran-5-yl)methanamine has a molecular weight of 231.34 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-(3,3-dimethyl-2H-1-benzofuran-5-yl)methanamine is sourced from PubChem (CID 107293439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).