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

C15H21NO2 — CID 80717280

IUPACN-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]oxolan-3-amine
SMILESCC1(C)Cc2cc(CNC3CCOC3)ccc2O1
InChIInChI=1S/C15H21NO2/c1-15(2)8-12-7-11(3-4-14(12)18-15)9-16-13-5-6-17-10-13/h3-4,7,13,16H,5-6,8-10H2,1-2H3
InChIKeyNFAPGIRCQMKVEE-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.28
Rot. Bonds3

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

N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]oxolan-3-amine (PubChem CID 80717280) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]oxolan-3-amine.

Molecular Properties

Compound NameN-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]oxolan-3-amine
PubChem CID80717280
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC NameN-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]oxolan-3-amine
SMILESCC1(C)Cc2cc(CNC3CCOC3)ccc2O1
InChIInChI=1S/C15H21NO2/c1-15(2)8-12-7-11(3-4-14(12)18-15)9-16-13-5-6-17-10-13/h3-4,7,13,16H,5-6,8-10H2,1-2H3
InChIKeyNFAPGIRCQMKVEE-UHFFFAOYSA-N
XLogP2.28
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-3,4-dimethylcyclohexan-1-amine
CID 64743242
N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-1-ethylpiperidin-4-amine
CID 63271340
N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-3-methoxycyclobutan-1-amine
CID 104587767
N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]hydroxylamine
CID 82684913
N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 63270711
2-[4-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]piperidin-1-yl]-N-methylacetamide
CID 119121844
N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-1-(2-methylsulfonylethyl)piperidin-4-amine
CID 119127897
N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-2-methylpropan-2-amine
CID 63270797
2-cyclopropyl-N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]propan-1-amine
CID 115614307
2-cyclopropyl-2-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]propan-1-ol
CID 111977137
3-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]piperidin-2-one
CID 63270812
N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]propan-1-amine
CID 63270798

Frequently Asked Questions

What is the IUPAC name of N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]oxolan-3-amine?
The IUPAC name of N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]oxolan-3-amine (CID 80717280) is N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]oxolan-3-amine.
What is the SMILES notation for N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]oxolan-3-amine?
The canonical SMILES for N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]oxolan-3-amine is CC1(C)Cc2cc(CNC3CCOC3)ccc2O1.
What is the InChIKey of N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]oxolan-3-amine?
The InChIKey is NFAPGIRCQMKVEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-15(2)8-12-7-11(3-4-14(12)18-15)9-16-13-5-6-17-10-13/h3-4,7,13,16H,5-6,8-10H2,1-2H3.
What are the key properties of N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]oxolan-3-amine?
N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]oxolan-3-amine has a molecular weight of 247.34 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]oxolan-3-amine is sourced from PubChem (CID 80717280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).