2,2-dimethyl-6-pyrrolidin-1-yl-3H-1-benzofuran-5-amine

C14H20N2O — CID 129298388

IUPAC2,2-dimethyl-6-pyrrolidin-1-yl-3H-1-benzofuran-5-amine
SMILESCC1(C)Cc2cc(N)c(N3CCCC3)cc2O1
InChIInChI=1S/C14H20N2O/c1-14(2)9-10-7-11(15)12(8-13(10)17-14)16-5-3-4-6-16/h7-8H,3-6,9,15H2,1-2H3
InChIKeyYOPWJKJOILXJKJ-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.58
Rot. Bonds1

About 2,2-dimethyl-6-pyrrolidin-1-yl-3H-1-benzofuran-5-amine

2,2-dimethyl-6-pyrrolidin-1-yl-3H-1-benzofuran-5-amine (PubChem CID 129298388) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 2,2-dimethyl-6-pyrrolidin-1-yl-3H-1-benzofuran-5-amine.

Molecular Properties

Compound Name2,2-dimethyl-6-pyrrolidin-1-yl-3H-1-benzofuran-5-amine
PubChem CID129298388
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name2,2-dimethyl-6-pyrrolidin-1-yl-3H-1-benzofuran-5-amine
SMILESCC1(C)Cc2cc(N)c(N3CCCC3)cc2O1
InChIInChI=1S/C14H20N2O/c1-14(2)9-10-7-11(15)12(8-13(10)17-14)16-5-3-4-6-16/h7-8H,3-6,9,15H2,1-2H3
InChIKeyYOPWJKJOILXJKJ-UHFFFAOYSA-N
XLogP2.58
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-6-pyrrolidin-1-yl-3H-1-benzofuran-5-amine?
The IUPAC name of 2,2-dimethyl-6-pyrrolidin-1-yl-3H-1-benzofuran-5-amine (CID 129298388) is 2,2-dimethyl-6-pyrrolidin-1-yl-3H-1-benzofuran-5-amine.
What is the SMILES notation for 2,2-dimethyl-6-pyrrolidin-1-yl-3H-1-benzofuran-5-amine?
The canonical SMILES for 2,2-dimethyl-6-pyrrolidin-1-yl-3H-1-benzofuran-5-amine is CC1(C)Cc2cc(N)c(N3CCCC3)cc2O1.
What is the InChIKey of 2,2-dimethyl-6-pyrrolidin-1-yl-3H-1-benzofuran-5-amine?
The InChIKey is YOPWJKJOILXJKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-14(2)9-10-7-11(15)12(8-13(10)17-14)16-5-3-4-6-16/h7-8H,3-6,9,15H2,1-2H3.
What are the key properties of 2,2-dimethyl-6-pyrrolidin-1-yl-3H-1-benzofuran-5-amine?
2,2-dimethyl-6-pyrrolidin-1-yl-3H-1-benzofuran-5-amine has a molecular weight of 232.33 g/mol, XLogP of 2.58, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-6-pyrrolidin-1-yl-3H-1-benzofuran-5-amine is sourced from PubChem (CID 129298388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).