2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]pentan-1-amine

C15H23NO2 — CID 83044315

IUPAC2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]pentan-1-amine
SMILESCCCC(CN)Oc1cccc2c1OC(C)(C)C2
InChIInChI=1S/C15H23NO2/c1-4-6-12(10-16)17-13-8-5-7-11-9-15(2,3)18-14(11)13/h5,7-8,12H,4,6,9-10,16H2,1-3H3
InChIKeyNHFIVMPNKGOHPJ-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.91
Rot. Bonds5

About 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]pentan-1-amine

2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]pentan-1-amine (PubChem CID 83044315) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]pentan-1-amine.

Molecular Properties

Compound Name2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]pentan-1-amine
PubChem CID83044315
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]pentan-1-amine
SMILESCCCC(CN)Oc1cccc2c1OC(C)(C)C2
InChIInChI=1S/C15H23NO2/c1-4-6-12(10-16)17-13-8-5-7-11-9-15(2,3)18-14(11)13/h5,7-8,12H,4,6,9-10,16H2,1-3H3
InChIKeyNHFIVMPNKGOHPJ-UHFFFAOYSA-N
XLogP2.91
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]pentan-1-amine?
The IUPAC name of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]pentan-1-amine (CID 83044315) is 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]pentan-1-amine.
What is the SMILES notation for 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]pentan-1-amine?
The canonical SMILES for 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]pentan-1-amine is CCCC(CN)Oc1cccc2c1OC(C)(C)C2.
What is the InChIKey of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]pentan-1-amine?
The InChIKey is NHFIVMPNKGOHPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-4-6-12(10-16)17-13-8-5-7-11-9-15(2,3)18-14(11)13/h5,7-8,12H,4,6,9-10,16H2,1-3H3.
What are the key properties of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]pentan-1-amine?
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]pentan-1-amine has a molecular weight of 249.35 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]pentan-1-amine is sourced from PubChem (CID 83044315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).