N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-2-methylbutan-2-amine

C16H25NO — CID 55168156

IUPACN-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-2-methylbutan-2-amine
SMILESCCC(C)(C)NCc1ccc2c(c1)CC(C)(C)O2
InChIInChI=1S/C16H25NO/c1-6-15(2,3)17-11-12-7-8-14-13(9-12)10-16(4,5)18-14/h7-9,17H,6,10-11H2,1-5H3
InChIKeyZKFJKEHSYKNJKW-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.68
Rot. Bonds4

About N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-2-methylbutan-2-amine

N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-2-methylbutan-2-amine (PubChem CID 55168156) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-2-methylbutan-2-amine.

Molecular Properties

Compound NameN-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-2-methylbutan-2-amine
PubChem CID55168156
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC NameN-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-2-methylbutan-2-amine
SMILESCCC(C)(C)NCc1ccc2c(c1)CC(C)(C)O2
InChIInChI=1S/C16H25NO/c1-6-15(2,3)17-11-12-7-8-14-13(9-12)10-16(4,5)18-14/h7-9,17H,6,10-11H2,1-5H3
InChIKeyZKFJKEHSYKNJKW-UHFFFAOYSA-N
XLogP3.68
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-2-methylbutan-2-amine?
The IUPAC name of N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-2-methylbutan-2-amine (CID 55168156) is N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-2-methylbutan-2-amine.
What is the SMILES notation for N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-2-methylbutan-2-amine?
The canonical SMILES for N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-2-methylbutan-2-amine is CCC(C)(C)NCc1ccc2c(c1)CC(C)(C)O2.
What is the InChIKey of N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-2-methylbutan-2-amine?
The InChIKey is ZKFJKEHSYKNJKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-6-15(2,3)17-11-12-7-8-14-13(9-12)10-16(4,5)18-14/h7-9,17H,6,10-11H2,1-5H3.
What are the key properties of N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-2-methylbutan-2-amine?
N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-2-methylbutan-2-amine has a molecular weight of 247.38 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-2-methylbutan-2-amine is sourced from PubChem (CID 55168156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).