N-[2-(2,2-dimethyl-3H-1-benzofuran-7-yl)ethyl]-2-methylpropan-2-amine

C16H25NO — CID 64865805

IUPACN-[2-(2,2-dimethyl-3H-1-benzofuran-7-yl)ethyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCCc1cccc2c1OC(C)(C)C2
InChIInChI=1S/C16H25NO/c1-15(2,3)17-10-9-12-7-6-8-13-11-16(4,5)18-14(12)13/h6-8,17H,9-11H2,1-5H3
InChIKeyGWAABGRIVJOAHJ-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.33
Rot. Bonds3

About N-[2-(2,2-dimethyl-3H-1-benzofuran-7-yl)ethyl]-2-methylpropan-2-amine

N-[2-(2,2-dimethyl-3H-1-benzofuran-7-yl)ethyl]-2-methylpropan-2-amine (PubChem CID 64865805) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is N-[2-(2,2-dimethyl-3H-1-benzofuran-7-yl)ethyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[2-(2,2-dimethyl-3H-1-benzofuran-7-yl)ethyl]-2-methylpropan-2-amine
PubChem CID64865805
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC NameN-[2-(2,2-dimethyl-3H-1-benzofuran-7-yl)ethyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCCc1cccc2c1OC(C)(C)C2
InChIInChI=1S/C16H25NO/c1-15(2,3)17-10-9-12-7-6-8-13-11-16(4,5)18-14(12)13/h6-8,17H,9-11H2,1-5H3
InChIKeyGWAABGRIVJOAHJ-UHFFFAOYSA-N
XLogP3.33
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,2-dimethyl-3H-1-benzofuran-7-yl)ethyl]-2-methylpropan-2-amine?
The IUPAC name of N-[2-(2,2-dimethyl-3H-1-benzofuran-7-yl)ethyl]-2-methylpropan-2-amine (CID 64865805) is N-[2-(2,2-dimethyl-3H-1-benzofuran-7-yl)ethyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[2-(2,2-dimethyl-3H-1-benzofuran-7-yl)ethyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[2-(2,2-dimethyl-3H-1-benzofuran-7-yl)ethyl]-2-methylpropan-2-amine is CC(C)(C)NCCc1cccc2c1OC(C)(C)C2.
What is the InChIKey of N-[2-(2,2-dimethyl-3H-1-benzofuran-7-yl)ethyl]-2-methylpropan-2-amine?
The InChIKey is GWAABGRIVJOAHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-15(2,3)17-10-9-12-7-6-8-13-11-16(4,5)18-14(12)13/h6-8,17H,9-11H2,1-5H3.
What are the key properties of N-[2-(2,2-dimethyl-3H-1-benzofuran-7-yl)ethyl]-2-methylpropan-2-amine?
N-[2-(2,2-dimethyl-3H-1-benzofuran-7-yl)ethyl]-2-methylpropan-2-amine has a molecular weight of 247.38 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,2-dimethyl-3H-1-benzofuran-7-yl)ethyl]-2-methylpropan-2-amine is sourced from PubChem (CID 64865805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).