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

C15H23NO — CID 63270797

IUPACN-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1ccc2c(c1)CC(C)(C)O2
InChIInChI=1S/C15H23NO/c1-14(2,3)16-10-11-6-7-13-12(8-11)9-15(4,5)17-13/h6-8,16H,9-10H2,1-5H3
InChIKeyJWWKWKYHGQKMCW-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.29
Rot. Bonds2

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

N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-2-methylpropan-2-amine (PubChem CID 63270797) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-2-methylpropan-2-amine
PubChem CID63270797
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC NameN-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1ccc2c(c1)CC(C)(C)O2
InChIInChI=1S/C15H23NO/c1-14(2,3)16-10-11-6-7-13-12(8-11)9-15(4,5)17-13/h6-8,16H,9-10H2,1-5H3
InChIKeyJWWKWKYHGQKMCW-UHFFFAOYSA-N
XLogP3.29
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-2-methylbutan-2-amine
CID 55168156
N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-2-methylbut-3-yn-2-amine
CID 63999911
N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]hydroxylamine
CID 82684913
3-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]-3-methylpentan-1-ol
CID 103768906
2-cyclopropyl-2-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]propan-1-ol
CID 111977137
N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-3,3-dimethylbutan-1-amine
CID 115614218
N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-2,2,2-trifluoroethanamine
CID 63270799
N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]propan-1-amine
CID 63270798
N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-2-methylsulfanylethanamine
CID 63378459
N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-2-fluoroaniline
CID 63270710
N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-1-(1,3-thiazol-2-yl)ethanamine
CID 63612015
1-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-2-phenylhydrazine
CID 169385560

Frequently Asked Questions

What is the IUPAC name of N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-2-methylpropan-2-amine (CID 63270797) is N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-2-methylpropan-2-amine is CC(C)(C)NCc1ccc2c(c1)CC(C)(C)O2.
What is the InChIKey of N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-2-methylpropan-2-amine?
The InChIKey is JWWKWKYHGQKMCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-14(2,3)16-10-11-6-7-13-12(8-11)9-15(4,5)17-13/h6-8,16H,9-10H2,1-5H3.
What are the key properties of N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-2-methylpropan-2-amine?
N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-2-methylpropan-2-amine has a molecular weight of 233.35 g/mol, XLogP of 3.29, 2 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-methylpropan-2-amine is sourced from PubChem (CID 63270797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).